6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine

C16H20ClN3O — CID 82463263

IUPAC6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(Cl)nc(CC(C)C)n2)cc1
InChIInChI=1S/C16H20ClN3O/c1-11(2)8-16-19-14(17)9-15(20-16)18-10-12-4-6-13(21-3)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,18,19,20)
InChIKeyBMMUZIONPKXUNN-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.95
Rot. Bonds6

About 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine

6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 82463263) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine
PubChem CID82463263
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(Cl)nc(CC(C)C)n2)cc1
InChIInChI=1S/C16H20ClN3O/c1-11(2)8-16-19-14(17)9-15(20-16)18-10-12-4-6-13(21-3)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,18,19,20)
InChIKeyBMMUZIONPKXUNN-UHFFFAOYSA-N
XLogP3.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 118937016
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458000
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088
6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 82463221
6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868056
N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol
CID 142781414
5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 134419132
6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80938818
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80935909
6-[(4-methoxyphenyl)methylamino]-2-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 82457676

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine (CID 82463263) is 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine is COc1ccc(CNc2cc(Cl)nc(CC(C)C)n2)cc1.
What is the InChIKey of 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is BMMUZIONPKXUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11(2)8-16-19-14(17)9-15(20-16)18-10-12-4-6-13(21-3)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine?
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 82463263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).