(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone

C17H26N4O — CID 95870094

IUPAC(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
SMILESCN(C)CC[C@H]1CCCCN1C(=O)c1cnc(C2CC2)nc1
InChIInChI=1S/C17H26N4O/c1-20(2)10-8-15-5-3-4-9-21(15)17(22)14-11-18-16(19-12-14)13-6-7-13/h11-13,15H,3-10H2,1-2H3/t15-/m1/s1
InChIKeyFQMHOIDWXGXBJH-OAHLLOKOSA-N
MW302.42 g/mol
LogP2.30
Rot. Bonds5

About (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone

(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone (PubChem CID 95870094) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
PubChem CID95870094
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
SMILESCN(C)CC[C@H]1CCCCN1C(=O)c1cnc(C2CC2)nc1
InChIInChI=1S/C17H26N4O/c1-20(2)10-8-15-5-3-4-9-21(15)17(22)14-11-18-16(19-12-14)13-6-7-13/h11-13,15H,3-10H2,1-2H3/t15-/m1/s1
InChIKeyFQMHOIDWXGXBJH-OAHLLOKOSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone (CID 95870094) is (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone is CN(C)CC[C@H]1CCCCN1C(=O)c1cnc(C2CC2)nc1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The InChIKey is FQMHOIDWXGXBJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N4O/c1-20(2)10-8-15-5-3-4-9-21(15)17(22)14-11-18-16(19-12-14)13-6-7-13/h11-13,15H,3-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95870094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).