(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone

C17H26N4O — CID 72911490

IUPAC(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cnc(C3CC3)nc2)CCN1C(C)C
InChIInChI=1S/C17H26N4O/c1-4-15-11-20(7-8-21(15)12(2)3)17(22)14-9-18-16(19-10-14)13-5-6-13/h9-10,12-13,15H,4-8,11H2,1-3H3
InChIKeyXGFLWYHASBMVRC-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.30
Rot. Bonds4

About (2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone

(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 72911490) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID72911490
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cnc(C3CC3)nc2)CCN1C(C)C
InChIInChI=1S/C17H26N4O/c1-4-15-11-20(7-8-21(15)12(2)3)17(22)14-9-18-16(19-10-14)13-5-6-13/h9-10,12-13,15H,4-8,11H2,1-3H3
InChIKeyXGFLWYHASBMVRC-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone (CID 72911490) is (2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2cnc(C3CC3)nc2)CCN1C(C)C.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is XGFLWYHASBMVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-15-11-20(7-8-21(15)12(2)3)17(22)14-9-18-16(19-10-14)13-5-6-13/h9-10,12-13,15H,4-8,11H2,1-3H3.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 72911490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).