2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide

C17H20N6O — CID 72880464

IUPAC2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(C)Cc2nc3ccccc3n2C)cn1
InChIInChI=1S/C17H20N6O/c1-4-18-17-19-9-12(10-20-17)16(24)22(2)11-15-21-13-7-5-6-8-14(13)23(15)3/h5-10H,4,11H2,1-3H3,(H,18,19,20)
InChIKeyOZMFBCHRWXSZGY-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.07
Rot. Bonds5

About 2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 72880464) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide
PubChem CID72880464
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(C)Cc2nc3ccccc3n2C)cn1
InChIInChI=1S/C17H20N6O/c1-4-18-17-19-9-12(10-20-17)16(24)22(2)11-15-21-13-7-5-6-8-14(13)23(15)3/h5-10H,4,11H2,1-3H3,(H,18,19,20)
InChIKeyOZMFBCHRWXSZGY-UHFFFAOYSA-N
XLogP2.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide (CID 72880464) is 2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)N(C)Cc2nc3ccccc3n2C)cn1.
What is the InChIKey of 2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is OZMFBCHRWXSZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-4-18-17-19-9-12(10-20-17)16(24)22(2)11-15-21-13-7-5-6-8-14(13)23(15)3/h5-10H,4,11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72880464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).