N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide

C16H20N4O — CID 109246693

IUPACN-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
SMILESCCCNc1ncc(C(=O)N(C)Cc2ccccc2)cn1
InChIInChI=1S/C16H20N4O/c1-3-9-17-16-18-10-14(11-19-16)15(21)20(2)12-13-7-5-4-6-8-13/h4-8,10-11H,3,9,12H2,1-2H3,(H,17,18,19)
InChIKeyIUCQNGXNMOFCQL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.57
Rot. Bonds6

About N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide

N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide (PubChem CID 109246693) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
PubChem CID109246693
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
SMILESCCCNc1ncc(C(=O)N(C)Cc2ccccc2)cn1
InChIInChI=1S/C16H20N4O/c1-3-9-17-16-18-10-14(11-19-16)15(21)20(2)12-13-7-5-4-6-8-13/h4-8,10-11H,3,9,12H2,1-2H3,(H,17,18,19)
InChIKeyIUCQNGXNMOFCQL-UHFFFAOYSA-N
XLogP2.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247874
N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256679
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259539
N-benzyl-2-(4-chloroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256684
N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide
CID 109256693
N-benzyl-2-(2-fluoroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256680
N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide
CID 109256739
N,N-dipropyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246750
N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263759
N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256687

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide (CID 109246693) is N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide is CCCNc1ncc(C(=O)N(C)Cc2ccccc2)cn1.
What is the InChIKey of N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide?
The InChIKey is IUCQNGXNMOFCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-9-17-16-18-10-14(11-19-16)15(21)20(2)12-13-7-5-4-6-8-13/h4-8,10-11H,3,9,12H2,1-2H3,(H,17,18,19).
What are the key properties of N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide?
N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109246693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).