4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine

C20H21ClN4O — CID 112935316

IUPAC4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOCCCNc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C20H21ClN4O/c1-26-13-7-12-22-20-24-18(15-8-3-2-4-9-15)14-19(25-20)23-17-11-6-5-10-16(17)21/h2-6,8-11,14H,7,12-13H2,1H3,(H2,22,23,24,25)
InChIKeyCHVDVEYJXAWDRS-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.99
Rot. Bonds8

About 4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine

4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112935316) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112935316
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOCCCNc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C20H21ClN4O/c1-26-13-7-12-22-20-24-18(15-8-3-2-4-9-15)14-19(25-20)23-17-11-6-5-10-16(17)21/h2-6,8-11,14H,7,12-13H2,1H3,(H2,22,23,24,25)
InChIKeyCHVDVEYJXAWDRS-UHFFFAOYSA-N
XLogP4.99
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935319
4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935315
5-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943949
4-N-(3-methoxyphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935328
2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935189
2-N-(3-chlorophenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935202
4-N-(2-chlorophenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937321
2-N-(4-tert-butylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935198
4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935080
4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911971
4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932591
2-[[2-(3-methoxypropylamino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194573

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine (CID 112935316) is 4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine is COCCCNc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is CHVDVEYJXAWDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-26-13-7-12-22-20-24-18(15-8-3-2-4-9-15)14-19(25-20)23-17-11-6-5-10-16(17)21/h2-6,8-11,14H,7,12-13H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine?
4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 368.87 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112935316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).