N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide

C17H21ClN4O3 — CID 109296875

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(NCC(C)C)n2)c(OC)cc1Cl
InChIInChI=1S/C17H21ClN4O3/c1-10(2)9-20-17-19-6-5-12(22-17)16(23)21-13-8-14(24-3)11(18)7-15(13)25-4/h5-8,10H,9H2,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyPSLMPQGUNLQJNQ-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.47
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109296875) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109296875
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(NCC(C)C)n2)c(OC)cc1Cl
InChIInChI=1S/C17H21ClN4O3/c1-10(2)9-20-17-19-6-5-12(22-17)16(23)21-13-8-14(24-3)11(18)7-15(13)25-4/h5-8,10H,9H2,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyPSLMPQGUNLQJNQ-UHFFFAOYSA-N
XLogP3.47
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296824
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311840
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217484
N-(3-chloro-4-methoxyphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311780
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296867
4-N-butan-2-yl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080113
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296803
6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094558
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109311828
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312013

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109296875) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide is COc1cc(NC(=O)c2ccnc(NCC(C)C)n2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is PSLMPQGUNLQJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-10(2)9-20-17-19-6-5-12(22-17)16(23)21-13-8-14(24-3)11(18)7-15(13)25-4/h5-8,10H,9H2,1-4H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).