N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

C18H22N4O3 — CID 109365780

IUPACN-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NCC3CCCO3)nc(C)n2)cc1
InChIInChI=1S/C18H22N4O3/c1-12-20-16(10-17(21-12)19-11-15-4-3-9-25-15)18(23)22-13-5-7-14(24-2)8-6-13/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyHUDRJSSLLRLPEF-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.64
Rot. Bonds6

About N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109365780) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109365780
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NCC3CCCO3)nc(C)n2)cc1
InChIInChI=1S/C18H22N4O3/c1-12-20-16(10-17(21-12)19-11-15-4-3-9-25-15)18(23)22-13-5-7-14(24-2)8-6-13/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyHUDRJSSLLRLPEF-UHFFFAOYSA-N
XLogP2.64
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365694
N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365751
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365830
6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365850
N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365824
N-tert-butyl-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365728
6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109360895
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881
N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853553
6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365935
6-(2-methoxyethylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109364622
6-(3-chloro-4-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365928

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109365780) is N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(NCC3CCCO3)nc(C)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is HUDRJSSLLRLPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-20-16(10-17(21-12)19-11-15-4-3-9-25-15)18(23)22-13-5-7-14(24-2)8-6-13/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109365780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).