N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride

C13H14Cl2N3- — CID 53351957

IUPACN-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride
SMILESCc1cc(C)nc(NCc2ccc(Cl)cc2)n1.[Cl-]
InChIInChI=1S/C13H14ClN3.ClH/c1-9-7-10(2)17-13(16-9)15-8-11-3-5-12(14)6-4-11;/h3-7H,8H2,1-2H3,(H,15,16,17);1H/p-1
InChIKeyZXBATMCSYNKHDV-UHFFFAOYSA-M
MW283.18 g/mol
LogP0.36
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride

N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride (PubChem CID 53351957) has the molecular formula C13H14Cl2N3- and a molecular weight of 283.18 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride
PubChem CID53351957
Molecular FormulaC13H14Cl2N3-
Molecular Weight283.18 g/mol
Exact Mass282.06
IUPAC NameN-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride
SMILESCc1cc(C)nc(NCc2ccc(Cl)cc2)n1.[Cl-]
InChIInChI=1S/C13H14ClN3.ClH/c1-9-7-10(2)17-13(16-9)15-8-11-3-5-12(14)6-4-11;/h3-7H,8H2,1-2H3,(H,15,16,17);1H/p-1
InChIKeyZXBATMCSYNKHDV-UHFFFAOYSA-M
XLogP0.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907715
N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109329026
2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112918107
N-[(4-chlorophenyl)methyl]-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112918088
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
4-N-[(4-chlorophenyl)methyl]-2-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917979
2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319479
N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine
CID 133390142
N-(4-chlorophenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327842
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112918090
4-N-[(4-chlorophenyl)methyl]-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918009
3-[[2-[(4-chlorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112918160

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride (CID 53351957) is N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride is Cc1cc(C)nc(NCc2ccc(Cl)cc2)n1.[Cl-].
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride?
The InChIKey is ZXBATMCSYNKHDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14ClN3.ClH/c1-9-7-10(2)17-13(16-9)15-8-11-3-5-12(14)6-4-11;/h3-7H,8H2,1-2H3,(H,15,16,17);1H/p-1.
What are the key properties of N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride?
N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride has a molecular weight of 283.18 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride is sourced from PubChem (CID 53351957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).