6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine

C13H22ClN3O — CID 113401019

IUPAC6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine
SMILESCCC(C)CC(C)Nc1cc(Cl)nc(COC)n1
InChIInChI=1S/C13H22ClN3O/c1-5-9(2)6-10(3)15-12-7-11(14)16-13(17-12)8-18-4/h7,9-10H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyNZSAPRWOBZOKDN-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.51
Rot. Bonds7

About 6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine

6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine (PubChem CID 113401019) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine
PubChem CID113401019
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine
SMILESCCC(C)CC(C)Nc1cc(Cl)nc(COC)n1
InChIInChI=1S/C13H22ClN3O/c1-5-9(2)6-10(3)15-12-7-11(14)16-13(17-12)8-18-4/h7,9-10H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyNZSAPRWOBZOKDN-UHFFFAOYSA-N
XLogP3.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80940416
6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 113401003
6-chloro-2-(ethoxymethyl)-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 114131045
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 114093885
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106178835

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine (CID 113401019) is 6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine is CCC(C)CC(C)Nc1cc(Cl)nc(COC)n1.
What is the InChIKey of 6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine?
The InChIKey is NZSAPRWOBZOKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-5-9(2)6-10(3)15-12-7-11(14)16-13(17-12)8-18-4/h7,9-10H,5-6,8H2,1-4H3,(H,15,16,17).
What are the key properties of 6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine?
6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine has a molecular weight of 271.79 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 113401019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).