N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide

C17H22N4O2 — CID 109263795

IUPACN-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)Nc2cccc(OC)c2)cn1
InChIInChI=1S/C17H22N4O2/c1-3-4-5-9-18-17-19-11-13(12-20-17)16(22)21-14-7-6-8-15(10-14)23-2/h6-8,10-12H,3-5,9H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyWASRFTHFYKUWAZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.34
Rot. Bonds8

About N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide

N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide (PubChem CID 109263795) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
PubChem CID109263795
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)Nc2cccc(OC)c2)cn1
InChIInChI=1S/C17H22N4O2/c1-3-4-5-9-18-17-19-11-13(12-20-17)16(22)21-14-7-6-8-15(10-14)23-2/h6-8,10-12H,3-5,9H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyWASRFTHFYKUWAZ-UHFFFAOYSA-N
XLogP3.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.34
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

methyl 3-[[2-(pentylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109263813
N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263782
N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260302
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
N-(3-methoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256295
N-(3-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259037
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263792
methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109269515
2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269511

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide (CID 109263795) is N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide is CCCCCNc1ncc(C(=O)Nc2cccc(OC)c2)cn1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The InChIKey is WASRFTHFYKUWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-4-5-9-18-17-19-11-13(12-20-17)16(22)21-14-7-6-8-15(10-14)23-2/h6-8,10-12H,3-5,9H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).