3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine

C19H18FN7 — CID 45486142

IUPAC3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCC[C@@H](Nc1cc(-c2c(N)nn3cccnc23)ncn1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN7/c1-2-14(12-4-6-13(20)7-5-12)25-16-10-15(23-11-24-16)17-18(21)26-27-9-3-8-22-19(17)27/h3-11,14H,2H2,1H3,(H2,21,26)(H,23,24,25)/t14-/m1/s1
InChIKeyBTOVCFAIIUJMFA-CQSZACIVSA-N
MW363.40 g/mol
LogP3.47
Rot. Bonds5

About 3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine

3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 45486142) has the molecular formula C19H18FN7 and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID45486142
Molecular FormulaC19H18FN7
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCC[C@@H](Nc1cc(-c2c(N)nn3cccnc23)ncn1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN7/c1-2-14(12-4-6-13(20)7-5-12)25-16-10-15(23-11-24-16)17-18(21)26-27-9-3-8-22-19(17)27/h3-11,14H,2H2,1H3,(H2,21,26)(H,23,24,25)/t14-/m1/s1
InChIKeyBTOVCFAIIUJMFA-CQSZACIVSA-N
XLogP3.47
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine (CID 45486142) is 3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine is CC[C@@H](Nc1cc(-c2c(N)nn3cccnc23)ncn1)c1ccc(F)cc1.
What is the InChIKey of 3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is BTOVCFAIIUJMFA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18FN7/c1-2-14(12-4-6-13(20)7-5-12)25-16-10-15(23-11-24-16)17-18(21)26-27-9-3-8-22-19(17)27/h3-11,14H,2H2,1H3,(H2,21,26)(H,23,24,25)/t14-/m1/s1.
What are the key properties of 3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 363.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(1R)-1-(4-fluorophenyl)propyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 45486142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).