4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

C13H19N5 — CID 114094516

IUPAC4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cn(C)nc2C(C)C)n1
InChIInChI=1S/C13H19N5/c1-8(2)12-11(7-18(5)17-12)16-13-14-9(3)6-10(4)15-13/h6-8H,1-5H3,(H,14,15,16)
InChIKeyCKPHAMGLYVFXPL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.69
Rot. Bonds3

About 4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 114094516) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID114094516
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cn(C)nc2C(C)C)n1
InChIInChI=1S/C13H19N5/c1-8(2)12-11(7-18(5)17-12)16-13-14-9(3)6-10(4)15-13/h6-8H,1-5H3,(H,14,15,16)
InChIKeyCKPHAMGLYVFXPL-UHFFFAOYSA-N
XLogP2.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (CID 114094516) is 4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is Cc1cc(C)nc(Nc2cn(C)nc2C(C)C)n1.
What is the InChIKey of 4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is CKPHAMGLYVFXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8(2)12-11(7-18(5)17-12)16-13-14-9(3)6-10(4)15-13/h6-8H,1-5H3,(H,14,15,16).
What are the key properties of 4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 114094516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).