(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone

C15H23ClN4O — CID 56821641

IUPAC(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCC(N(C)C)CC2)n1
InChIInChI=1S/C15H23ClN4O/c1-10(2)14-17-9-12(16)13(18-14)15(21)20-7-5-11(6-8-20)19(3)4/h9-11H,5-8H2,1-4H3
InChIKeyGOQDLNSLHCSWGK-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.42
Rot. Bonds3

About (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone

(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 56821641) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID56821641
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCC(N(C)C)CC2)n1
InChIInChI=1S/C15H23ClN4O/c1-10(2)14-17-9-12(16)13(18-14)15(21)20-7-5-11(6-8-20)19(3)4/h9-11H,5-8H2,1-4H3
InChIKeyGOQDLNSLHCSWGK-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone (CID 56821641) is (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone is CC(C)c1ncc(Cl)c(C(=O)N2CCC(N(C)C)CC2)n1.
What is the InChIKey of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is GOQDLNSLHCSWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-10(2)14-17-9-12(16)13(18-14)15(21)20-7-5-11(6-8-20)19(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 310.83 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 56821641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).