[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

C18H23N5O2 — CID 71800043

IUPAC[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nc(N2CCN(C(=O)C3CCCO3)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C18H23N5O2/c1-14-19-16(21-6-2-3-7-21)13-17(20-14)22-8-10-23(11-9-22)18(24)15-5-4-12-25-15/h2-3,6-7,13,15H,4-5,8-12H2,1H3
InChIKeyVIDDAFDPEXCJJK-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.40
Rot. Bonds3

About [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 71800043) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID71800043
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nc(N2CCN(C(=O)C3CCCO3)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C18H23N5O2/c1-14-19-16(21-6-2-3-7-21)13-17(20-14)22-8-10-23(11-9-22)18(24)15-5-4-12-25-15/h2-3,6-7,13,15H,4-5,8-12H2,1H3
InChIKeyVIDDAFDPEXCJJK-UHFFFAOYSA-N
XLogP1.40
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 71800043) is [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is Cc1nc(N2CCN(C(=O)C3CCCO3)CC2)cc(-n2cccc2)n1.
What is the InChIKey of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is VIDDAFDPEXCJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14-19-16(21-6-2-3-7-21)13-17(20-14)22-8-10-23(11-9-22)18(24)15-5-4-12-25-15/h2-3,6-7,13,15H,4-5,8-12H2,1H3.
What are the key properties of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 71800043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).