ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate

C15H23N5O3 — CID 72879162

IUPACethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc(N(C)C)nc2C)CC1
InChIInChI=1S/C15H23N5O3/c1-5-23-15(22)20-8-6-19(7-9-20)13(21)12-10-16-14(18(3)4)17-11(12)2/h10H,5-9H2,1-4H3
InChIKeyICGCGVRETQGBFP-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.77
Rot. Bonds3

About ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate

ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate (PubChem CID 72879162) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
PubChem CID72879162
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Nameethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc(N(C)C)nc2C)CC1
InChIInChI=1S/C15H23N5O3/c1-5-23-15(22)20-8-6-19(7-9-20)13(21)12-10-16-14(18(3)4)17-11(12)2/h10H,5-9H2,1-4H3
InChIKeyICGCGVRETQGBFP-UHFFFAOYSA-N
XLogP0.77
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 20959486
(3S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]-3-ethylpiperidine-3-carboxylic acid
CID 97126317
5-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56700544
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70732353
ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate
CID 50975980
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 133122270
[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 97192875
(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid
CID 97271863
2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 56711368
ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 110853959
(3S,4S)-4-cyclopropyl-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 74238233
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
CID 71220661

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate (CID 72879162) is ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cnc(N(C)C)nc2C)CC1.
What is the InChIKey of ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate?
The InChIKey is ICGCGVRETQGBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-5-23-15(22)20-8-6-19(7-9-20)13(21)12-10-16-14(18(3)4)17-11(12)2/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate?
ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 72879162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).