6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

C17H19F3N10 — CID 143753746

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCC(F)(F)C3)n2)n[nH]1
InChIInChI=1S/C17H19F3N10/c1-9-5-12(29-28-9)24-15-25-14(23-10(2)13-21-6-11(18)7-22-13)26-16(27-15)30-4-3-17(19,20)8-30/h5-7,10H,3-4,8H2,1-2H3,(H3,23,24,25,26,27,28,29)/t10-/m0/s1
InChIKeySVGKJAOTQVRVNS-JTQLQIEISA-N
MW420.40 g/mol
LogP2.59
Rot. Bonds6

About 6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 143753746) has the molecular formula C17H19F3N10 and a molecular weight of 420.40 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID143753746
Molecular FormulaC17H19F3N10
Molecular Weight420.40 g/mol
Exact Mass420.17
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCC(F)(F)C3)n2)n[nH]1
InChIInChI=1S/C17H19F3N10/c1-9-5-12(29-28-9)24-15-25-14(23-10(2)13-21-6-11(18)7-22-13)26-16(27-15)30-4-3-17(19,20)8-30/h5-7,10H,3-4,8H2,1-2H3,(H3,23,24,25,26,27,28,29)/t10-/m0/s1
InChIKeySVGKJAOTQVRVNS-JTQLQIEISA-N
XLogP2.59
TPSA120.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

Azd-1480
CID 16659841
N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 16659680
N4-(5-Cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 16659681
5-Fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 16659836
N2-[(1S)-1-(5-Fluoropyrimidin-2-yl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 16659838
5-fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 16662070
4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 25104502
(S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
CID 25171661
(S)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-5-(5-methyl-1H-pyrazol-3-ylamino)pyrazine-2-carbonitrile
CID 25171665
5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 46861588
5-bromo-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 50993724
N4-[5-(dimethylamino)-1H-pyrazol-3-yl]-5-fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 50993726

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 143753746) is 6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCC(F)(F)C3)n2)n[nH]1.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SVGKJAOTQVRVNS-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19F3N10/c1-9-5-12(29-28-9)24-15-25-14(23-10(2)13-21-6-11(18)7-22-13)26-16(27-15)30-4-3-17(19,20)8-30/h5-7,10H,3-4,8H2,1-2H3,(H3,23,24,25,26,27,28,29)/t10-/m0/s1.
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 420.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 143753746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).