1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine

C12H21N3O2 — CID 115355620

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine
SMILESCCCC(Cc1nc(OC)cc(OC)n1)NC
InChIInChI=1S/C12H21N3O2/c1-5-6-9(13-2)7-10-14-11(16-3)8-12(15-10)17-4/h8-9,13H,5-7H2,1-4H3
InChIKeyCSATUYACXIANOA-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.42
Rot. Bonds7

About 1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine

1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine (PubChem CID 115355620) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine
PubChem CID115355620
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine
SMILESCCCC(Cc1nc(OC)cc(OC)n1)NC
InChIInChI=1S/C12H21N3O2/c1-5-6-9(13-2)7-10-14-11(16-3)8-12(15-10)17-4/h8-9,13H,5-7H2,1-4H3
InChIKeyCSATUYACXIANOA-UHFFFAOYSA-N
XLogP1.42
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine
CID 80752472
6-methoxy-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82457957
3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid
CID 105483713
N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine
CID 66331828
2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine
CID 115355679
6-methoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82457982
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 106115742
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116780972
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one
CID 115355584
N-methyl-1-(3-methylpyrazin-2-yl)pentan-2-amine
CID 83064291
N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine
CID 63199835

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine (CID 115355620) is 1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine is CCCC(Cc1nc(OC)cc(OC)n1)NC.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine?
The InChIKey is CSATUYACXIANOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-6-9(13-2)7-10-14-11(16-3)8-12(15-10)17-4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine?
1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine is sourced from PubChem (CID 115355620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).