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

C15H17FN8 — CID 16659680

IUPAC2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2C)n[nH]1
InChIInChI=1S/C15H17FN8/c1-8-5-19-15(20-10(3)14-17-6-11(16)7-18-14)22-13(8)21-12-4-9(2)23-24-12/h4-7,10H,1-3H3,(H3,19,20,21,22,23,24)/t10-/m0/s1
InChIKeyQNBLPUFFJOANGD-JTQLQIEISA-N
MW328.36 g/mol
LogP2.66
Rot. Bonds5

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

2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 16659680) has the molecular formula C15H17FN8 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID16659680
Molecular FormulaC15H17FN8
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2C)n[nH]1
InChIInChI=1S/C15H17FN8/c1-8-5-19-15(20-10(3)14-17-6-11(16)7-18-14)22-13(8)21-12-4-9(2)23-24-12/h4-7,10H,1-3H3,(H3,19,20,21,22,23,24)/t10-/m0/s1
InChIKeyQNBLPUFFJOANGD-JTQLQIEISA-N
XLogP2.66
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 16659680) is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2C)n[nH]1.
What is the InChIKey of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is QNBLPUFFJOANGD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17FN8/c1-8-5-19-15(20-10(3)14-17-6-11(16)7-18-14)22-13(8)21-12-4-9(2)23-24-12/h4-7,10H,1-3H3,(H3,19,20,21,22,23,24)/t10-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 328.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 16659680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).