(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone

C16H26N4O — CID 97142002

IUPAC(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2cnc(C)nc2C)CCN1C(C)C
InChIInChI=1S/C16H26N4O/c1-6-14-10-19(7-8-20(14)11(2)3)16(21)15-9-17-13(5)18-12(15)4/h9,11,14H,6-8,10H2,1-5H3/t14-/m1/s1
InChIKeyYKVLNZUQWVDWDV-CQSZACIVSA-N
MW290.41 g/mol
LogP2.04
Rot. Bonds3

About (2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone

(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone (PubChem CID 97142002) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
PubChem CID97142002
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2cnc(C)nc2C)CCN1C(C)C
InChIInChI=1S/C16H26N4O/c1-6-14-10-19(7-8-20(14)11(2)3)16(21)15-9-17-13(5)18-12(15)4/h9,11,14H,6-8,10H2,1-5H3/t14-/m1/s1
InChIKeyYKVLNZUQWVDWDV-CQSZACIVSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
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5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 99949676
[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 28954600
[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 96574836
(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 128974600
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56745157
1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836362
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 72908166
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 29256413
(2,4-dimethylpyrimidin-5-yl)-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129479039
(2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone (CID 97142002) is (2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone is CC[C@@H]1CN(C(=O)c2cnc(C)nc2C)CCN1C(C)C.
What is the InChIKey of (2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The InChIKey is YKVLNZUQWVDWDV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O/c1-6-14-10-19(7-8-20(14)11(2)3)16(21)15-9-17-13(5)18-12(15)4/h9,11,14H,6-8,10H2,1-5H3/t14-/m1/s1.
What are the key properties of (2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 97142002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).