(2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide

C15H24N6O2 — CID 95811305

IUPAC(2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)c2cnc(N(C)C)nc2)C[C@H]1C(N)=O
InChIInChI=1S/C15H24N6O2/c1-10(2)21-6-5-20(9-12(21)13(16)22)14(23)11-7-17-15(18-8-11)19(3)4/h7-8,10,12H,5-6,9H2,1-4H3,(H2,16,22)/t12-/m0/s1
InChIKeyUXFHKPPKMHFFNI-LBPRGKRZSA-N
MW320.40 g/mol
LogP-0.44
Rot. Bonds4

About (2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide

(2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 95811305) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is (2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide
PubChem CID95811305
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name(2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)c2cnc(N(C)C)nc2)C[C@H]1C(N)=O
InChIInChI=1S/C15H24N6O2/c1-10(2)21-6-5-20(9-12(21)13(16)22)14(23)11-7-17-15(18-8-11)19(3)4/h7-8,10,12H,5-6,9H2,1-4H3,(H2,16,22)/t12-/m0/s1
InChIKeyUXFHKPPKMHFFNI-LBPRGKRZSA-N
XLogP-0.44
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-4-(6-methylpyridine-3-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125008665
(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 72911490
[(5aS,9aR)-1,2,3,4,5,5a,6,8,9,9a-decahydropyrido[4,3-b]azepin-7-yl]-[2-(dimethylamino)pyrimidin-5-yl]methanone
CID 110124580
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 125020200
4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086124
(2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide
CID 124948999
[(3aR,6aS)-5-phenoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-(dimethylamino)pyrimidin-5-yl]methanone
CID 110134846
[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102849
1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide
CID 127244521
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 95197173
[3-(dimethylamino)phenyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 96578559
[3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 70762011

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of (2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide (CID 95811305) is (2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide is CC(C)N1CCN(C(=O)c2cnc(N(C)C)nc2)C[C@H]1C(N)=O.
What is the InChIKey of (2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is UXFHKPPKMHFFNI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-10(2)21-6-5-20(9-12(21)13(16)22)14(23)11-7-17-15(18-8-11)19(3)4/h7-8,10,12H,5-6,9H2,1-4H3,(H2,16,22)/t12-/m0/s1.
What are the key properties of (2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide?
(2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 320.40 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 95811305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).