[6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C19H31N5O — CID 95829489

IUPAC[6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(C)C)CC2)nc(C2CCN(C)CC2)n1
InChIInChI=1S/C19H31N5O/c1-14(2)23-9-11-24(12-10-23)19(25)17-13-15(3)20-18(21-17)16-5-7-22(4)8-6-16/h13-14,16H,5-12H2,1-4H3
InChIKeyRDKIPMHBRCSBBW-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.76
Rot. Bonds3

About [6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 95829489) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is [6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID95829489
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name[6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(C)C)CC2)nc(C2CCN(C)CC2)n1
InChIInChI=1S/C19H31N5O/c1-14(2)23-9-11-24(12-10-23)19(25)17-13-15(3)20-18(21-17)16-5-7-22(4)8-6-16/h13-14,16H,5-12H2,1-4H3
InChIKeyRDKIPMHBRCSBBW-UHFFFAOYSA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 95829489) is [6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(C(C)C)CC2)nc(C2CCN(C)CC2)n1.
What is the InChIKey of [6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is RDKIPMHBRCSBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-14(2)23-9-11-24(12-10-23)19(25)17-13-15(3)20-18(21-17)16-5-7-22(4)8-6-16/h13-14,16H,5-12H2,1-4H3.
What are the key properties of [6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 345.49 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 95829489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).