N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide

C18H23ClN4O2 — CID 109311840

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccnc(NCCC(C)C)n1
InChIInChI=1S/C18H23ClN4O2/c1-11(2)5-7-20-18-21-8-6-14(23-18)17(24)22-15-9-12(3)13(19)10-16(15)25-4/h6,8-11H,5,7H2,1-4H3,(H,22,24)(H,20,21,23)
InChIKeyAPGFIRIPYHUSOF-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.16
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109311840) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109311840
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccnc(NCCC(C)C)n1
InChIInChI=1S/C18H23ClN4O2/c1-11(2)5-7-20-18-21-8-6-14(23-18)17(24)22-15-9-12(3)13(19)10-16(15)25-4/h6,8-11H,5,7H2,1-4H3,(H,22,24)(H,20,21,23)
InChIKeyAPGFIRIPYHUSOF-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311780
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296875
N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311775
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109311828
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846579
N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311752
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217484
N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296824
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311806
N-[4-(diethylamino)-2-methylphenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311841
6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094558
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311831

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109311840) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccnc(NCCC(C)C)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is APGFIRIPYHUSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-11(2)5-7-20-18-21-8-6-14(23-18)17(24)22-15-9-12(3)13(19)10-16(15)25-4/h6,8-11H,5,7H2,1-4H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).