6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine

C16H20ClN3O — CID 63730306

IUPAC6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2ncnc(Cl)c2C(C)C)cc1
InChIInChI=1S/C16H20ClN3O/c1-11(2)14-15(17)18-10-19-16(14)20(3)9-12-5-7-13(21-4)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeyIPTDRPZPTNUYJG-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.90
Rot. Bonds5

About 6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63730306) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID63730306
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2ncnc(Cl)c2C(C)C)cc1
InChIInChI=1S/C16H20ClN3O/c1-11(2)14-15(17)18-10-19-16(14)20(3)9-12-5-7-13(21-4)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeyIPTDRPZPTNUYJG-UHFFFAOYSA-N
XLogP3.90
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777408
4-chloro-6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-5-carbaldehyde
CID 66334683
N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 165435267
6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729253
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 55231244
6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729773
4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine
CID 158014813
3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 102756549
N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 35790116
6-chloro-N-methyl-N-(2-methylsulfanylethyl)-5-propan-2-ylpyrimidin-4-amine
CID 112663088
4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine
CID 146236231

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine (CID 63730306) is 6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine is COc1ccc(CN(C)c2ncnc(Cl)c2C(C)C)cc1.
What is the InChIKey of 6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is IPTDRPZPTNUYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11(2)14-15(17)18-10-19-16(14)20(3)9-12-5-7-13(21-4)8-6-12/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63730306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).