N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride

C14H19ClFN5 — CID 154899663

IUPACN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCc1cc(C)c2c(NC[C@@H]3C[C@H](F)CN3)ncnc2n1.Cl
InChIInChI=1S/C14H18FN5.ClH/c1-8-3-9(2)20-14-12(8)13(18-7-19-14)17-6-11-4-10(15)5-16-11;/h3,7,10-11,16H,4-6H2,1-2H3,(H,17,18,19,20);1H/t10-,11-;/m0./s1
InChIKeyNYWGBYJDVJDPMX-ACMTZBLWSA-N
MW311.79 g/mol
LogP2.18
Rot. Bonds3

About N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 154899663) has the molecular formula C14H19ClFN5 and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID154899663
Molecular FormulaC14H19ClFN5
Molecular Weight311.79 g/mol
Exact Mass311.13
IUPAC NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCc1cc(C)c2c(NC[C@@H]3C[C@H](F)CN3)ncnc2n1.Cl
InChIInChI=1S/C14H18FN5.ClH/c1-8-3-9(2)20-14-12(8)13(18-7-19-14)17-6-11-4-10(15)5-16-11;/h3,7,10-11,16H,4-6H2,1-2H3,(H,17,18,19,20);1H/t10-,11-;/m0./s1
InChIKeyNYWGBYJDVJDPMX-ACMTZBLWSA-N
XLogP2.18
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride (CID 154899663) is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride is Cc1cc(C)c2c(NC[C@@H]3C[C@H](F)CN3)ncnc2n1.Cl.
What is the InChIKey of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is NYWGBYJDVJDPMX-ACMTZBLWSA-N. The full InChI is InChI=1S/C14H18FN5.ClH/c1-8-3-9(2)20-14-12(8)13(18-7-19-14)17-6-11-4-10(15)5-16-11;/h3,7,10-11,16H,4-6H2,1-2H3,(H,17,18,19,20);1H/t10-,11-;/m0./s1.
What are the key properties of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 311.79 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 154899663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).