4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile

C14H18N8 — CID 166765711

IUPAC4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile
SMILESCN[C@@H]1CCN(c2cc(-c3cnn(C)c3C#N)nc(N)n2)C1
InChIInChI=1S/C14H18N8/c1-17-9-3-4-22(8-9)13-5-11(19-14(16)20-13)10-7-18-21(2)12(10)6-15/h5,7,9,17H,3-4,8H2,1-2H3,(H2,16,19,20)/t9-/m1/s1
InChIKeyAOADJYBRHZHNKY-SECBINFHSA-N
MW298.35 g/mol
LogP0.13
Rot. Bonds3

About 4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile

4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile (PubChem CID 166765711) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile
PubChem CID166765711
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile
SMILESCN[C@@H]1CCN(c2cc(-c3cnn(C)c3C#N)nc(N)n2)C1
InChIInChI=1S/C14H18N8/c1-17-9-3-4-22(8-9)13-5-11(19-14(16)20-13)10-7-18-21(2)12(10)6-15/h5,7,9,17H,3-4,8H2,1-2H3,(H2,16,19,20)/t9-/m1/s1
InChIKeyAOADJYBRHZHNKY-SECBINFHSA-N
XLogP0.13
TPSA108.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile 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-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile?
The IUPAC name of 4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile (CID 166765711) is 4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile.
What is the SMILES notation for 4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile?
The canonical SMILES for 4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile is CN[C@@H]1CCN(c2cc(-c3cnn(C)c3C#N)nc(N)n2)C1.
What is the InChIKey of 4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile?
The InChIKey is AOADJYBRHZHNKY-SECBINFHSA-N. The full InChI is InChI=1S/C14H18N8/c1-17-9-3-4-22(8-9)13-5-11(19-14(16)20-13)10-7-18-21(2)12(10)6-15/h5,7,9,17H,3-4,8H2,1-2H3,(H2,16,19,20)/t9-/m1/s1.
What are the key properties of 4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile?
4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile is sourced from PubChem (CID 166765711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).