N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine

C16H20ClN3O — CID 133380840

IUPACN-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine
SMILESCOCCC(Nc1nc(C)cc(C)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O/c1-11-10-12(2)19-16(18-11)20-15(8-9-21-3)13-4-6-14(17)7-5-13/h4-7,10,15H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyCWQFUPFISLIUQE-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.94
Rot. Bonds6

About N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine

N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 133380840) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID133380840
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine
SMILESCOCCC(Nc1nc(C)cc(C)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O/c1-11-10-12(2)19-16(18-11)20-15(8-9-21-3)13-4-6-14(17)7-5-13/h4-7,10,15H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyCWQFUPFISLIUQE-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine
CID 133380821
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine
CID 133380785
5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one
CID 133380806
2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one
CID 137264955
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 106153905
1-(4-chlorophenyl)-3-methoxypropan-1-amine;hydrochloride
CID 71756127
3-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133380824
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine
CID 81356589
N-[2-(4-chlorophenoxy)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78848661

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine (CID 133380840) is N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine is COCCC(Nc1nc(C)cc(C)n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is CWQFUPFISLIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11-10-12(2)19-16(18-11)20-15(8-9-21-3)13-4-6-14(17)7-5-13/h4-7,10,15H,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine?
N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 305.81 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 133380840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).