6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine

C10H17N3 — CID 61225499

IUPAC6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine
SMILESCc1cc(NC(C)C(C)C)ncn1
InChIInChI=1S/C10H17N3/c1-7(2)9(4)13-10-5-8(3)11-6-12-10/h5-7,9H,1-4H3,(H,11,12,13)
InChIKeyDHYSXJWLKLPFCQ-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.24
Rot. Bonds3

About 6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine

6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine (PubChem CID 61225499) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine
PubChem CID61225499
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine
SMILESCc1cc(NC(C)C(C)C)ncn1
InChIInChI=1S/C10H17N3/c1-7(2)9(4)13-10-5-8(3)11-6-12-10/h5-7,9H,1-4H3,(H,11,12,13)
InChIKeyDHYSXJWLKLPFCQ-UHFFFAOYSA-N
XLogP2.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine (CID 61225499) is 6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine is Cc1cc(NC(C)C(C)C)ncn1.
What is the InChIKey of 6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine?
The InChIKey is DHYSXJWLKLPFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)9(4)13-10-5-8(3)11-6-12-10/h5-7,9H,1-4H3,(H,11,12,13).
What are the key properties of 6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine?
6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine has a molecular weight of 179.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 61225499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).