N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

C17H18N6O2 — CID 139022042

IUPACN-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCn1c(NC(=O)c2ccnc(N3CCOCC3)n2)nc2ccccc21
InChIInChI=1S/C17H18N6O2/c1-22-14-5-3-2-4-12(14)19-17(22)21-15(24)13-6-7-18-16(20-13)23-8-10-25-11-9-23/h2-7H,8-11H2,1H3,(H,19,21,24)
InChIKeyKADMNQDTTDHDDJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.45
Rot. Bonds3

About N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 139022042) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID139022042
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCn1c(NC(=O)c2ccnc(N3CCOCC3)n2)nc2ccccc21
InChIInChI=1S/C17H18N6O2/c1-22-14-5-3-2-4-12(14)19-17(22)21-15(24)13-6-7-18-16(20-13)23-8-10-25-11-9-23/h2-7H,8-11H2,1H3,(H,19,21,24)
InChIKeyKADMNQDTTDHDDJ-UHFFFAOYSA-N
XLogP1.45
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300438
N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300433
2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300479
methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300468
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487
N'-methoxy-N'-methyl-2-morpholin-4-ylpyrimidine-4-carbohydrazide
CID 87482379
N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 136554886
1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one
CID 170035961
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300337
1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
CID 110471540

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 139022042) is N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is Cn1c(NC(=O)c2ccnc(N3CCOCC3)n2)nc2ccccc21.
What is the InChIKey of N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is KADMNQDTTDHDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-22-14-5-3-2-4-12(14)19-17(22)21-15(24)13-6-7-18-16(20-13)23-8-10-25-11-9-23/h2-7H,8-11H2,1H3,(H,19,21,24).
What are the key properties of N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 139022042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).