4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine

C14H17ClN4O — CID 19150555

IUPAC4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(NCc2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H17ClN4O/c1-9(2)20-14-12(16)13(18-8-19-14)17-7-10-3-5-11(15)6-4-10/h3-6,8-9H,7,16H2,1-2H3,(H,17,18,19)
InChIKeyAATVSJKCRLRNIT-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.11
Rot. Bonds5

About 4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 19150555) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID19150555
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(NCc2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H17ClN4O/c1-9(2)20-14-12(16)13(18-8-19-14)17-7-10-3-5-11(15)6-4-10/h3-6,8-9H,7,16H2,1-2H3,(H,17,18,19)
InChIKeyAATVSJKCRLRNIT-UHFFFAOYSA-N
XLogP3.11
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-butoxy-4-N-[(4-chlorophenyl)methyl]pyrimidine-4,5-diamine
CID 82455263
4-N-butan-2-yl-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150593
4-N-(2,5-dichlorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19146760
4-N-[(4-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145582
6-N-butyl-4-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19134877
4-N-[(4-fluorophenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455219
4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 114954606
6-N-[(4-chlorophenyl)methyl]-4-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544359
4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546490
N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326004
4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104591319
4-N-(3-methylbut-2-enyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 106182572

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine (CID 19150555) is 4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine is CC(C)Oc1ncnc(NCc2ccc(Cl)cc2)c1N.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is AATVSJKCRLRNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9(2)20-14-12(16)13(18-8-19-14)17-7-10-3-5-11(15)6-4-10/h3-6,8-9H,7,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine has a molecular weight of 292.77 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19150555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).