N-methyl-N-(2-methylpropyl)pyrimidin-2-amine

C9H15N3 — CID 88975209

IUPACN-methyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CN(C)C1=NC=CC=N1
InChIInChI=1S/C9H15N3/c1-8(2)7-12(3)9-10-5-4-6-11-9/h4-6,8H,7H2,1-3H3
InChIKeyPMABPEGXFUMOSI-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.40
Rot. Bonds3

About N-methyl-N-(2-methylpropyl)pyrimidin-2-amine

N-methyl-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 88975209) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID88975209
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-methyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CN(C)C1=NC=CC=N1
InChIInChI=1S/C9H15N3/c1-8(2)7-12(3)9-10-5-4-6-11-9/h4-6,8H,7H2,1-3H3
InChIKeyPMABPEGXFUMOSI-UHFFFAOYSA-N
XLogP2.40
TPSA29.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity119

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-N-(2-methylpropyl)pyrimidin-2-amine (CID 88975209) is N-methyl-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-(2-methylpropyl)pyrimidin-2-amine is CC(C)CN(C)C1=NC=CC=N1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is PMABPEGXFUMOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8(2)7-12(3)9-10-5-4-6-11-9/h4-6,8H,7H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
N-methyl-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 165.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 88975209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).