2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine

C11H18ClN3 — CID 79075572

IUPAC2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
SMILESCCC(C)C(C)Nc1nc(Cl)ncc1C
InChIInChI=1S/C11H18ClN3/c1-5-7(2)9(4)14-10-8(3)6-13-11(12)15-10/h6-7,9H,5H2,1-4H3,(H,13,14,15)
InChIKeyIUXQEBJVTDDTIP-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.28
Rot. Bonds4

About 2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine

2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine (PubChem CID 79075572) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
PubChem CID79075572
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
SMILESCCC(C)C(C)Nc1nc(Cl)ncc1C
InChIInChI=1S/C11H18ClN3/c1-5-7(2)9(4)14-10-8(3)6-13-11(12)15-10/h6-7,9H,5H2,1-4H3,(H,13,14,15)
InChIKeyIUXQEBJVTDDTIP-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 79081841
2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80802888
methyl 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]propanoate
CID 79076713
2-chloro-5-methyl-N-octan-2-ylpyrimidin-4-amine
CID 79076093
2-chloro-N-hex-1-yn-3-yl-5-methylpyrimidin-4-amine
CID 106232841
2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 79076194
2-chloro-6-ethyl-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320947
3,5,6-trichloro-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 102750625
2-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-5-methylpyrimidin-4-amine
CID 155572677
4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79072829
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854394
6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80971108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine (CID 79075572) is 2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine is CCC(C)C(C)Nc1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
The InChIKey is IUXQEBJVTDDTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-5-7(2)9(4)14-10-8(3)6-13-11(12)15-10/h6-7,9H,5H2,1-4H3,(H,13,14,15).
What are the key properties of 2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine has a molecular weight of 227.74 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79075572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).