N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine

C15H18ClN3O — CID 82454030

IUPACN-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCc2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C15H18ClN3O/c1-3-8-20-15-9-14(18-11(2)19-15)17-10-12-4-6-13(16)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeyMAYRDKJNUWQDIC-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.84
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine

N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine (PubChem CID 82454030) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine
PubChem CID82454030
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCc2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C15H18ClN3O/c1-3-8-20-15-9-14(18-11(2)19-15)17-10-12-4-6-13(16)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeyMAYRDKJNUWQDIC-UHFFFAOYSA-N
XLogP3.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 82454445
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82454448
4-N-tert-butyl-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872702
2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454179
4-chloro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474856
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870195
6-(2-aminoethoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 121206106
N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331237
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325047
N-[(4-chlorophenyl)methyl]-5,6-dimethyl-1-(4-propoxyphenyl)benzimidazol-2-amine
CID 143210327

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine (CID 82454030) is N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine is CCCOc1cc(NCc2ccc(Cl)cc2)nc(C)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine?
The InChIKey is MAYRDKJNUWQDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-8-20-15-9-14(18-11(2)19-15)17-10-12-4-6-13(16)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine?
N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 82454030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).