[4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol

C20H27N3O — CID 70736923

IUPAC[4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCCCc1cnc(C)nc1N1CCC(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C20H27N3O/c1-3-4-19-12-21-15(2)22-20(19)23-10-9-18(13-23)11-16-5-7-17(14-24)8-6-16/h5-8,12,18,24H,3-4,9-11,13-14H2,1-2H3
InChIKeyKVRLZBBEFPFZDY-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.30
Rot. Bonds6

About [4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol

[4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol (PubChem CID 70736923) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is [4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol
PubChem CID70736923
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name[4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCCCc1cnc(C)nc1N1CCC(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C20H27N3O/c1-3-4-19-12-21-15(2)22-20(19)23-10-9-18(13-23)11-16-5-7-17(14-24)8-6-16/h5-8,12,18,24H,3-4,9-11,13-14H2,1-2H3
InChIKeyKVRLZBBEFPFZDY-UHFFFAOYSA-N
XLogP3.30
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol (CID 70736923) is [4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol is CCCc1cnc(C)nc1N1CCC(Cc2ccc(CO)cc2)C1.
What is the InChIKey of [4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol?
The InChIKey is KVRLZBBEFPFZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-4-19-12-21-15(2)22-20(19)23-10-9-18(13-23)11-16-5-7-17(14-24)8-6-16/h5-8,12,18,24H,3-4,9-11,13-14H2,1-2H3.
What are the key properties of [4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol?
[4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol has a molecular weight of 325.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]phenyl]methanol is sourced from PubChem (CID 70736923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).