[1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol

C17H29N3O — CID 126798161

IUPAC[1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol
SMILESCCCCc1nc(C)cc(N2CCC(CO)(CCC)C2)n1
InChIInChI=1S/C17H29N3O/c1-4-6-7-15-18-14(3)11-16(19-15)20-10-9-17(12-20,13-21)8-5-2/h11,21H,4-10,12-13H2,1-3H3
InChIKeyWWNFYEQEVCKXGD-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.12
Rot. Bonds7

About [1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol

[1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol (PubChem CID 126798161) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol
PubChem CID126798161
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name[1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol
SMILESCCCCc1nc(C)cc(N2CCC(CO)(CCC)C2)n1
InChIInChI=1S/C17H29N3O/c1-4-6-7-15-18-14(3)11-16(19-15)20-10-9-17(12-20,13-21)8-5-2/h11,21H,4-10,12-13H2,1-3H3
InChIKeyWWNFYEQEVCKXGD-UHFFFAOYSA-N
XLogP3.12
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol (CID 126798161) is [1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol is CCCCc1nc(C)cc(N2CCC(CO)(CCC)C2)n1.
What is the InChIKey of [1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol?
The InChIKey is WWNFYEQEVCKXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-6-7-15-18-14(3)11-16(19-15)20-10-9-17(12-20,13-21)8-5-2/h11,21H,4-10,12-13H2,1-3H3.
What are the key properties of [1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol?
[1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol has a molecular weight of 291.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-butyl-6-methylpyrimidin-4-yl)-3-propylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 126798161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).