4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine

C13H19N5 — CID 53172436

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1cc(C)n(-c2ccnc(NCC(C)C)n2)n1
InChIInChI=1S/C13H19N5/c1-9(2)8-15-13-14-6-5-12(16-13)18-11(4)7-10(3)17-18/h5-7,9H,8H2,1-4H3,(H,14,15,16)
InChIKeyLKJNIRPRQSINPZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.35
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine

4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 53172436) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID53172436
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1cc(C)n(-c2ccnc(NCC(C)C)n2)n1
InChIInChI=1S/C13H19N5/c1-9(2)8-15-13-14-6-5-12(16-13)18-11(4)7-10(3)17-18/h5-7,9H,8H2,1-4H3,(H,14,15,16)
InChIKeyLKJNIRPRQSINPZ-UHFFFAOYSA-N
XLogP2.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine (CID 53172436) is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine is Cc1cc(C)n(-c2ccnc(NCC(C)C)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is LKJNIRPRQSINPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9(2)8-15-13-14-6-5-12(16-13)18-11(4)7-10(3)17-18/h5-7,9H,8H2,1-4H3,(H,14,15,16).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 53172436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).