N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide

C18H24N4O2 — CID 112846747

IUPACN-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)Nc2cccc(OC)c2)nc(C)n1
InChIInChI=1S/C18H24N4O2/c1-4-5-6-10-19-17-12-16(20-13(2)21-17)18(23)22-14-8-7-9-15(11-14)24-3/h7-9,11-12H,4-6,10H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyOQAUITVMUPTSSM-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.65
Rot. Bonds8

About N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide

N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide (PubChem CID 112846747) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
PubChem CID112846747
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)Nc2cccc(OC)c2)nc(C)n1
InChIInChI=1S/C18H24N4O2/c1-4-5-6-10-19-17-12-16(20-13(2)21-17)18(23)22-14-8-7-9-15(11-14)24-3/h7-9,11-12H,4-6,10H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyOQAUITVMUPTSSM-UHFFFAOYSA-N
XLogP3.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.65
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-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846528
methyl 3-[[6-(butylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109361689
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
N-(2,4-dimethoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846755
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511
2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112846753
N-(3,4-difluorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846806
6-(3-methoxypropylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109365060
N-(2,6-dichlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846794
N-(3-methoxyphenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370787
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543
N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365130

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide (CID 112846747) is N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide is CCCCCNc1cc(C(=O)Nc2cccc(OC)c2)nc(C)n1.
What is the InChIKey of N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
The InChIKey is OQAUITVMUPTSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-5-6-10-19-17-12-16(20-13(2)21-17)18(23)22-14-8-7-9-15(11-14)24-3/h7-9,11-12H,4-6,10H2,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.65, 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-methyl-6-(pentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).