(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

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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).