2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

C17H19FN8 — CID 45275257

IUPAC2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nc2c(c(Nc3cn(C)cn3)n1)CCC2)c1ncc(F)cn1
InChIInChI=1S/C17H19FN8/c1-10(15-19-6-11(18)7-20-15)22-17-23-13-5-3-4-12(13)16(25-17)24-14-8-26(2)9-21-14/h6-10H,3-5H2,1-2H3,(H2,22,23,24,25)/t10-/m0/s1
InChIKeyWWMMLOLMRJFDEA-JTQLQIEISA-N
MW354.39 g/mol
LogP2.54
Rot. Bonds5

About 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 45275257) has the molecular formula C17H19FN8 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
PubChem CID45275257
Molecular FormulaC17H19FN8
Molecular Weight354.39 g/mol
Exact Mass354.17
IUPAC Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nc2c(c(Nc3cn(C)cn3)n1)CCC2)c1ncc(F)cn1
InChIInChI=1S/C17H19FN8/c1-10(15-19-6-11(18)7-20-15)22-17-23-13-5-3-4-12(13)16(25-17)24-14-8-26(2)9-21-14/h6-10H,3-5H2,1-2H3,(H2,22,23,24,25)/t10-/m0/s1
InChIKeyWWMMLOLMRJFDEA-JTQLQIEISA-N
XLogP2.54
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (CID 45275257) is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is C[C@H](Nc1nc2c(c(Nc3cn(C)cn3)n1)CCC2)c1ncc(F)cn1.
What is the InChIKey of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The InChIKey is WWMMLOLMRJFDEA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19FN8/c1-10(15-19-6-11(18)7-20-15)22-17-23-13-5-3-4-12(13)16(25-17)24-14-8-26(2)9-21-14/h6-10H,3-5H2,1-2H3,(H2,22,23,24,25)/t10-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 354.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 45275257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).