4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

C17H28N4O — CID 95204324

IUPAC4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)NC[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C17H28N4O/c1-11(2)16-18-9-15(13(5)20-16)17(22)19-8-14-6-7-21(10-14)12(3)4/h9,11-12,14H,6-8,10H2,1-5H3,(H,19,22)/t14-/m0/s1
InChIKeyOPBIPKJGXJQJIU-AWEZNQCLSA-N
MW304.44 g/mol
LogP2.37
Rot. Bonds5

About 4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 95204324) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
PubChem CID95204324
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)NC[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C17H28N4O/c1-11(2)16-18-9-15(13(5)20-16)17(22)19-8-14-6-7-21(10-14)12(3)4/h9,11-12,14H,6-8,10H2,1-5H3,(H,19,22)/t14-/m0/s1
InChIKeyOPBIPKJGXJQJIU-AWEZNQCLSA-N
XLogP2.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-(methylamino)pyrimidine-5-carboxamide
CID 129930559
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
4-Methyl-2-(4-methylpiperazin-1-YL)-5-(4-methylpiperazine-1-carbonyl)pyrimidine
CID 46345551
1-Ethyl-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 50950250
N-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53502557
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 53505870
4-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide
CID 53506050
N-[2-(2-methylpiperidin-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53506851

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (CID 95204324) is 4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is Cc1nc(C(C)C)ncc1C(=O)NC[C@@H]1CCN(C(C)C)C1.
What is the InChIKey of 4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is OPBIPKJGXJQJIU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O/c1-11(2)16-18-9-15(13(5)20-16)17(22)19-8-14-6-7-21(10-14)12(3)4/h9,11-12,14H,6-8,10H2,1-5H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 95204324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).