4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

C14H17ClN4O — CID 22546490

IUPAC4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCc1cc(Cl)ccc1Nc1ncnc(OC(C)C)c1N
InChIInChI=1S/C14H17ClN4O/c1-8(2)20-14-12(16)13(17-7-18-14)19-11-5-4-10(15)6-9(11)3/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyLAOOOPHDAKRUPI-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.55
Rot. Bonds4

About 4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 22546490) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID22546490
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCc1cc(Cl)ccc1Nc1ncnc(OC(C)C)c1N
InChIInChI=1S/C14H17ClN4O/c1-8(2)20-14-12(16)13(17-7-18-14)19-11-5-4-10(15)6-9(11)3/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyLAOOOPHDAKRUPI-UHFFFAOYSA-N
XLogP3.55
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,5-dichlorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19146760
N-(4-chloro-2-methylphenyl)-5-nitro-6-propan-2-yloxypyrimidin-4-amine
CID 23485135
4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152519
4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104722386
4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546528
4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546284
4-N-(4-chloro-2-methylphenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546140
6-N-butyl-4-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546354
4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19150555
4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 83072877
4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104775547
1-[4-[[5-amino-6-(4-chloro-2-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22546451

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (CID 22546490) is 4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is Cc1cc(Cl)ccc1Nc1ncnc(OC(C)C)c1N.
What is the InChIKey of 4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is LAOOOPHDAKRUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-8(2)20-14-12(16)13(17-7-18-14)19-11-5-4-10(15)6-9(11)3/h4-8H,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine has a molecular weight of 292.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 22546490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).