N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide

C13H22N4O — CID 74247805

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C13H22N4O/c1-10-11(6-14-9-16-10)12(18)15-7-13(2,3)8-17(4)5/h6,9H,7-8H2,1-5H3,(H,15,18)
InChIKeyZNRYFEOKZCUYRU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.10
Rot. Bonds5

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 74247805) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide
PubChem CID74247805
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C13H22N4O/c1-10-11(6-14-9-16-10)12(18)15-7-13(2,3)8-17(4)5/h6,9H,7-8H2,1-5H3,(H,15,18)
InChIKeyZNRYFEOKZCUYRU-UHFFFAOYSA-N
XLogP1.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-(methylamino)pyrimidine-5-carboxamide
CID 129930559
2-amino-6-cyclopentyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52104808
5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-piperidinyl)-
CID 3078701
5H,6H-pyrido(4,3-d)pyrimidin-5-one
CID 12624212
2-(Dimethylamino)-6-Methyl-Pyrido[4,3-D]pyrimidin-5-One
CID 53017606
N-(2-methoxyethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 44615903
2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide
CID 46345475
2-(dimethylamino)-7-[(2-isopropyl-4-methylpyrimidin-5-yl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136185474
5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-pyrrolidinyl)-
CID 3078700
2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid butylamide
CID 10850430
1-[4-Methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]azepane
CID 20959556
4-Methyl-2-(4-methylpiperazin-1-YL)-5-(4-methylpiperazine-1-carbonyl)pyrimidine
CID 46345551

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide (CID 74247805) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide is Cc1ncncc1C(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is ZNRYFEOKZCUYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-11(6-14-9-16-10)12(18)15-7-13(2,3)8-17(4)5/h6,9H,7-8H2,1-5H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 74247805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).