N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide

C17H22N4O2 — CID 109296824

IUPACN-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(NCC(C)C)n1
InChIInChI=1S/C17H22N4O2/c1-11(2)10-19-17-18-8-7-13(21-17)16(22)20-14-9-12(3)5-6-15(14)23-4/h5-9,11H,10H2,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyRISGPKRDUWZNHU-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.11
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide

N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109296824) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109296824
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(NCC(C)C)n1
InChIInChI=1S/C17H22N4O2/c1-11(2)10-19-17-18-8-7-13(21-17)16(22)20-14-9-12(3)5-6-15(14)23-4/h5-9,11H,10H2,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyRISGPKRDUWZNHU-UHFFFAOYSA-N
XLogP3.11
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296875
N-(2-methoxy-5-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306967
2-(3,4-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317940
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109316717
2-(2,4-difluoroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317953
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311840
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109315477
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928
N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311752
4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109217002
N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312013

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109296824) is N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1ccnc(NCC(C)C)n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is RISGPKRDUWZNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)10-19-17-18-8-7-13(21-17)16(22)20-14-9-12(3)5-6-15(14)23-4/h5-9,11H,10H2,1-4H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).