2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide

C18H23ClN4O2 — CID 109320598

IUPAC2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCCCNc1nc(C)cc(C(=O)Nc2cc(C)c(Cl)cc2OC)n1
InChIInChI=1S/C18H23ClN4O2/c1-5-6-7-20-18-21-12(3)9-15(23-18)17(24)22-14-8-11(2)13(19)10-16(14)25-4/h8-10H,5-7H2,1-4H3,(H,22,24)(H,20,21,23)
InChIKeyDNZAOJDIEBBMEV-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.22
Rot. Bonds7

About 2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide

2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109320598) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109320598
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCCCNc1nc(C)cc(C(=O)Nc2cc(C)c(Cl)cc2OC)n1
InChIInChI=1S/C18H23ClN4O2/c1-5-6-7-20-18-21-12(3)9-15(23-18)17(24)22-14-8-11(2)13(19)10-16(14)25-4/h8-10H,5-7H2,1-4H3,(H,22,24)(H,20,21,23)
InChIKeyDNZAOJDIEBBMEV-UHFFFAOYSA-N
XLogP4.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.22
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

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109324016
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323660
2-(4-chloro-2-methoxy-5-methylanilino)-6-methyl-N-pentylpyrimidine-4-carboxamide
CID 109333515
N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318998
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322086
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332314
6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109151665
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311840
2-(butylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320521
2-(butylamino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109320536

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109320598) is 2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide is CCCCNc1nc(C)cc(C(=O)Nc2cc(C)c(Cl)cc2OC)n1.
What is the InChIKey of 2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is DNZAOJDIEBBMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-5-6-7-20-18-21-12(3)9-15(23-18)17(24)22-14-8-11(2)13(19)10-16(14)25-4/h8-10H,5-7H2,1-4H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109320598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).