4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine

C12H21N3 — CID 43518888

IUPAC4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NC(C)CC(C)C)n1
InChIInChI=1S/C12H21N3/c1-8(2)6-9(3)13-12-14-10(4)7-11(5)15-12/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyNKQWUOXMSUZMSA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.94
Rot. Bonds4

About 4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine

4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine (PubChem CID 43518888) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
PubChem CID43518888
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NC(C)CC(C)C)n1
InChIInChI=1S/C12H21N3/c1-8(2)6-9(3)13-12-14-10(4)7-11(5)15-12/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyNKQWUOXMSUZMSA-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine
CID 63732356
4,6-dimethyl-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 63011106
N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 115774227
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115644029
2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine
CID 65192439
4,6-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyrimidin-2-amine
CID 95129567
2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112909105
4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine
CID 78966867
4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 112637072
6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine
CID 81132188
N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60732152

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine (CID 43518888) is 4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine is Cc1cc(C)nc(NC(C)CC(C)C)n1.
What is the InChIKey of 4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine?
The InChIKey is NKQWUOXMSUZMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8(2)6-9(3)13-12-14-10(4)7-11(5)15-12/h7-9H,6H2,1-5H3,(H,13,14,15).
What are the key properties of 4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine?
4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 43518888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).