4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C19H23FN10O — CID 67300267

IUPAC4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESC[C@H](Nc1nc(Nc2cn(C3CC3)cn2)nc(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C19H23FN10O/c1-12(16-21-8-13(20)9-22-16)24-17-26-18(25-15-10-30(11-23-15)14-2-3-14)28-19(27-17)29-4-6-31-7-5-29/h8-12,14H,2-7H2,1H3,(H2,24,25,26,27,28)/t12-/m0/s1
InChIKeySCJAJECTDVCOTD-LBPRGKRZSA-N
MW426.46 g/mol
LogP2.09
Rot. Bonds7

About 4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 67300267) has the molecular formula C19H23FN10O and a molecular weight of 426.46 g/mol. Its IUPAC name is 4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID67300267
Molecular FormulaC19H23FN10O
Molecular Weight426.46 g/mol
Exact Mass426.20
IUPAC Name4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESC[C@H](Nc1nc(Nc2cn(C3CC3)cn2)nc(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C19H23FN10O/c1-12(16-21-8-13(20)9-22-16)24-17-26-18(25-15-10-30(11-23-15)14-2-3-14)28-19(27-17)29-4-6-31-7-5-29/h8-12,14H,2-7H2,1H3,(H2,24,25,26,27,28)/t12-/m0/s1
InChIKeySCJAJECTDVCOTD-LBPRGKRZSA-N
XLogP2.09
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 67300267) is 4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is C[C@H](Nc1nc(Nc2cn(C3CC3)cn2)nc(N2CCOCC2)n1)c1ncc(F)cn1.
What is the InChIKey of 4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is SCJAJECTDVCOTD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23FN10O/c1-12(16-21-8-13(20)9-22-16)24-17-26-18(25-15-10-30(11-23-15)14-2-3-14)28-19(27-17)29-4-6-31-7-5-29/h8-12,14H,2-7H2,1H3,(H2,24,25,26,27,28)/t12-/m0/s1.
What are the key properties of 4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 426.46 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylimidazol-4-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67300267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).