1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine

C11H18ClN3O — CID 80752472

IUPAC1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine
SMILESCCCC(Cc1nc(OC)ncc1Cl)NC
InChIInChI=1S/C11H18ClN3O/c1-4-5-8(13-2)6-10-9(12)7-14-11(15-10)16-3/h7-8,13H,4-6H2,1-3H3
InChIKeyLJPMDPUQAGOCKR-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.07
Rot. Bonds6

About 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine

1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine (PubChem CID 80752472) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine
PubChem CID80752472
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine
SMILESCCCC(Cc1nc(OC)ncc1Cl)NC
InChIInChI=1S/C11H18ClN3O/c1-4-5-8(13-2)6-10-9(12)7-14-11(15-10)16-3/h7-8,13H,4-6H2,1-3H3
InChIKeyLJPMDPUQAGOCKR-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine
CID 80751917
1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol
CID 115733636
1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine
CID 115355620
N-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine
CID 83064291
5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine
CID 107816615
3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 80752686
2-(5-chloro-2-methoxypyrimidin-4-yl)-1-phenylethanone
CID 80752358
5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 80758897
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 80758625
3-N-(5-chloro-2-methoxypyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 114151024
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106157779
5-chloro-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxypyrimidin-4-amine
CID 106181795

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine (CID 80752472) is 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine is CCCC(Cc1nc(OC)ncc1Cl)NC.
What is the InChIKey of 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine?
The InChIKey is LJPMDPUQAGOCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-5-8(13-2)6-10-9(12)7-14-11(15-10)16-3/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine?
1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine has a molecular weight of 243.74 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine is sourced from PubChem (CID 80752472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).