4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C13H19N7 — CID 159912281

IUPAC4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(-c3cnn(C)c3)nc(N)n2)C1
InChIInChI=1S/C13H19N7/c1-15-10-3-4-20(8-10)12-5-11(17-13(14)18-12)9-6-16-19(2)7-9/h5-7,10,15H,3-4,8H2,1-2H3,(H2,14,17,18)/t10-/m1/s1
InChIKeyRAEYZWCZIUPWNC-SNVBAGLBSA-N
MW273.34 g/mol
LogP0.26
Rot. Bonds3

About 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 159912281) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID159912281
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(-c3cnn(C)c3)nc(N)n2)C1
InChIInChI=1S/C13H19N7/c1-15-10-3-4-20(8-10)12-5-11(17-13(14)18-12)9-6-16-19(2)7-9/h5-7,10,15H,3-4,8H2,1-2H3,(H2,14,17,18)/t10-/m1/s1
InChIKeyRAEYZWCZIUPWNC-SNVBAGLBSA-N
XLogP0.26
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 159912281) is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine is CN[C@@H]1CCN(c2cc(-c3cnn(C)c3)nc(N)n2)C1.
What is the InChIKey of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is RAEYZWCZIUPWNC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N7/c1-15-10-3-4-20(8-10)12-5-11(17-13(14)18-12)9-6-16-19(2)7-9/h5-7,10,15H,3-4,8H2,1-2H3,(H2,14,17,18)/t10-/m1/s1.
What are the key properties of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 159912281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).