[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

C18H29N5O — CID 146127363

IUPAC[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
SMILESCc1cc(C(C)C)nc(N2CCN(C(=O)C3CCCN3C)CC2)n1
InChIInChI=1S/C18H29N5O/c1-13(2)15-12-14(3)19-18(20-15)23-10-8-22(9-11-23)17(24)16-6-5-7-21(16)4/h12-13,16H,5-11H2,1-4H3
InChIKeyULOMEOUHGRVWNZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.65
Rot. Bonds3

About [4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone (PubChem CID 146127363) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is [4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
PubChem CID146127363
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
SMILESCc1cc(C(C)C)nc(N2CCN(C(=O)C3CCCN3C)CC2)n1
InChIInChI=1S/C18H29N5O/c1-13(2)15-12-14(3)19-18(20-15)23-10-8-22(9-11-23)17(24)16-6-5-7-21(16)4/h12-13,16H,5-11H2,1-4H3
InChIKeyULOMEOUHGRVWNZ-UHFFFAOYSA-N
XLogP1.65
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone (CID 146127363) is [4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone is Cc1cc(C(C)C)nc(N2CCN(C(=O)C3CCCN3C)CC2)n1.
What is the InChIKey of [4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The InChIKey is ULOMEOUHGRVWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-13(2)15-12-14(3)19-18(20-15)23-10-8-22(9-11-23)17(24)16-6-5-7-21(16)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of [4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone has a molecular weight of 331.46 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 146127363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).