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

C10H16ClN3 — CID 130009210

IUPAC4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
SMILESCc1cc(Cl)nc(NC(C)C(C)C)n1
InChIInChI=1S/C10H16ClN3/c1-6(2)8(4)13-10-12-7(3)5-9(11)14-10/h5-6,8H,1-4H3,(H,12,13,14)
InChIKeyRRURUAFWOVIVGN-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.89
Rot. Bonds3

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

4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine (PubChem CID 130009210) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
PubChem CID130009210
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
SMILESCc1cc(Cl)nc(NC(C)C(C)C)n1
InChIInChI=1S/C10H16ClN3/c1-6(2)8(4)13-10-12-7(3)5-9(11)14-10/h5-6,8H,1-4H3,(H,12,13,14)
InChIKeyRRURUAFWOVIVGN-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine
CID 53385565
4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636615
2,6-dimethyl-N-(3-methylbutan-2-yl)pyridin-4-amine
CID 130507574
1-(2-chloro-6-methyl-4-pyridinyl)-2-methylpropan-1-amine
CID 55271130
N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 115774227
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115644029
2-chloro-6-methyl-4-propan-2-ylpyridine
CID 19867375
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
6-chloro-2-methyl-N-(3-methylbutan-2-yl)pyridin-3-amine
CID 107272250
2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine
CID 65192439
6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766912
6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319251

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine (CID 130009210) is 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine is Cc1cc(Cl)nc(NC(C)C(C)C)n1.
What is the InChIKey of 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine?
The InChIKey is RRURUAFWOVIVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-6(2)8(4)13-10-12-7(3)5-9(11)14-10/h5-6,8H,1-4H3,(H,12,13,14).
What are the key properties of 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine?
4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine has a molecular weight of 213.71 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 130009210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).