4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

C14H20FN7 — CID 140662866

IUPAC4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cnn(C)c2)nc1NC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C14H20FN7/c1-9-4-18-14(20-12-7-19-22(2)8-12)21-13(9)17-6-11-3-10(15)5-16-11/h4,7-8,10-11,16H,3,5-6H2,1-2H3,(H2,17,18,20,21)/t10-,11-/m0/s1
InChIKeyQGDRIDIKUXLVIK-QWRGUYRKSA-N
MW305.36 g/mol
LogP1.37
Rot. Bonds5

About 4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 140662866) has the molecular formula C14H20FN7 and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID140662866
Molecular FormulaC14H20FN7
Molecular Weight305.36 g/mol
Exact Mass305.18
IUPAC Name4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cnn(C)c2)nc1NC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C14H20FN7/c1-9-4-18-14(20-12-7-19-22(2)8-12)21-13(9)17-6-11-3-10(15)5-16-11/h4,7-8,10-11,16H,3,5-6H2,1-2H3,(H2,17,18,20,21)/t10-,11-/m0/s1
InChIKeyQGDRIDIKUXLVIK-QWRGUYRKSA-N
XLogP1.37
TPSA79.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 140662866) is 4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is Cc1cnc(Nc2cnn(C)c2)nc1NC[C@@H]1C[C@H](F)CN1.
What is the InChIKey of 4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is QGDRIDIKUXLVIK-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20FN7/c1-9-4-18-14(20-12-7-19-22(2)8-12)21-13(9)17-6-11-3-10(15)5-16-11/h4,7-8,10-11,16H,3,5-6H2,1-2H3,(H2,17,18,20,21)/t10-,11-/m0/s1.
What are the key properties of 4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 305.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 140662866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).