6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine

C11H18ClN3 — CID 63727942

IUPAC6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1N(C)CCC(C)C
InChIInChI=1S/C11H18ClN3/c1-8(2)5-6-15(4)11-9(3)10(12)13-7-14-11/h7-8H,5-6H2,1-4H3
InChIKeyVAKMXMGGJGUYNF-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.92
Rot. Bonds4

About 6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine

6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 63727942) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine
PubChem CID63727942
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1N(C)CCC(C)C
InChIInChI=1S/C11H18ClN3/c1-8(2)5-6-15(4)11-9(3)10(12)13-7-14-11/h7-8H,5-6H2,1-4H3
InChIKeyVAKMXMGGJGUYNF-UHFFFAOYSA-N
XLogP2.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-methoxyethyl)-N,5-dimethylpyrimidin-4-amine
CID 63728106
N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine
CID 63729764
2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 63729146
4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796579
N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 55231244
6-chloro-N,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 63838232
6-chloro-N,N-bis(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 107870670
6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 63728838
6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 63729632
6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methylpyrimidin-4-amine
CID 63728317
N'-(6-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995604
6-chloro-N-methyl-N-(2-methylsulfanylethyl)-5-propan-2-ylpyrimidin-4-amine
CID 112663088

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine (CID 63727942) is 6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine is Cc1c(Cl)ncnc1N(C)CCC(C)C.
What is the InChIKey of 6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is VAKMXMGGJGUYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8(2)5-6-15(4)11-9(3)10(12)13-7-14-11/h7-8H,5-6H2,1-4H3.
What are the key properties of 6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine?
6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 227.74 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 63727942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).