1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine

C13H23ClN4 — CID 133282520

IUPAC1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCc1nc(Cl)cc(NCC(CC(C)C)N(C)C)n1
InChIInChI=1S/C13H23ClN4/c1-9(2)6-11(18(4)5)8-15-13-7-12(14)16-10(3)17-13/h7,9,11H,6,8H2,1-5H3,(H,15,16,17)
InChIKeyQGKGQQDODICZMB-UHFFFAOYSA-N
MW270.81 g/mol
LogP2.83
Rot. Bonds6

About 1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 133282520) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is 1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID133282520
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC Name1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCc1nc(Cl)cc(NCC(CC(C)C)N(C)C)n1
InChIInChI=1S/C13H23ClN4/c1-9(2)6-11(18(4)5)8-15-13-7-12(14)16-10(3)17-13/h7,9,11H,6,8H2,1-5H3,(H,15,16,17)
InChIKeyQGKGQQDODICZMB-UHFFFAOYSA-N
XLogP2.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
CID 115764320
6-chloro-2-methyl-N-(2-methylsulfanylpropyl)pyrimidin-4-amine
CID 115756052
6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine
CID 113230295
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576938
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635870
6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine
CID 102809450
6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 103742855
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159769

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 133282520) is 1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine is Cc1nc(Cl)cc(NCC(CC(C)C)N(C)C)n1.
What is the InChIKey of 1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is QGKGQQDODICZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-9(2)6-11(18(4)5)8-15-13-7-12(14)16-10(3)17-13/h7,9,11H,6,8H2,1-5H3,(H,15,16,17).
What are the key properties of 1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 270.81 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 133282520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).