4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine

C17H23ClN4O — CID 112864177

IUPAC4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCNc1cc(Nc2cc(C)c(Cl)cc2OC)ncn1
InChIInChI=1S/C17H23ClN4O/c1-4-5-6-7-19-16-10-17(21-11-20-16)22-14-8-12(2)13(18)9-15(14)23-3/h8-11H,4-7H2,1-3H3,(H2,19,20,21,22)
InChIKeyMGEBDZVRZHVNHN-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.79
Rot. Bonds8

About 4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine

4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine (PubChem CID 112864177) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine
PubChem CID112864177
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCNc1cc(Nc2cc(C)c(Cl)cc2OC)ncn1
InChIInChI=1S/C17H23ClN4O/c1-4-5-6-7-19-16-10-17(21-11-20-16)22-14-8-12(2)13(18)9-15(14)23-3/h8-11H,4-7H2,1-3H3,(H2,19,20,21,22)
InChIKeyMGEBDZVRZHVNHN-UHFFFAOYSA-N
XLogP4.79
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.79
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-(4-chloro-2-methoxy-5-methylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857539
4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864137
6-N-benzyl-4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858867
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864104
4-N-(2,3-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864108
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109151665
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 79021315
4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80762786
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112867157
4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112876003

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine (CID 112864177) is 4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine is CCCCCNc1cc(Nc2cc(C)c(Cl)cc2OC)ncn1.
What is the InChIKey of 4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine?
The InChIKey is MGEBDZVRZHVNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-4-5-6-7-19-16-10-17(21-11-20-16)22-14-8-12(2)13(18)9-15(14)23-3/h8-11H,4-7H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine?
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine has a molecular weight of 334.85 g/mol, XLogP of 4.79, 8 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-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine is sourced from PubChem (CID 112864177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).