[1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol

C20H28N4O — CID 56752140

IUPAC[1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESCc1cc(N2CCCC(CO)(CCCc3ccccc3)C2)nc(N)n1
InChIInChI=1S/C20H28N4O/c1-16-13-18(23-19(21)22-16)24-12-6-11-20(14-24,15-25)10-5-9-17-7-3-2-4-8-17/h2-4,7-8,13,25H,5-6,9-12,14-15H2,1H3,(H2,21,22,23)
InChIKeyCILSBPSVDVVHIX-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.97
Rot. Bonds6

About [1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol

[1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol (PubChem CID 56752140) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is [1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
PubChem CID56752140
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name[1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESCc1cc(N2CCCC(CO)(CCCc3ccccc3)C2)nc(N)n1
InChIInChI=1S/C20H28N4O/c1-16-13-18(23-19(21)22-16)24-12-6-11-20(14-24,15-25)10-5-9-17-7-3-2-4-8-17/h2-4,7-8,13,25H,5-6,9-12,14-15H2,1H3,(H2,21,22,23)
InChIKeyCILSBPSVDVVHIX-UHFFFAOYSA-N
XLogP2.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
1-(2-Amino-4-pyrimidinyl)-3-(3-phenylpropyl)-3-piperidinemethanol
CID 56750508
3-(2,6-Diamino-5-phenyl-pyrimidin-4-yl)-propan-1-ol
CID 11288025
N-benzyl-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 697249
N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 721057
{3-(2-Fluorobenzyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl}methanol
CID 56748960
{1-(5,6-Dimethylpyrimidin-4-yl)-4-[2-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 56758079
cis-3-{2-Amino-6-[4-(4-fluorobenzyl)piperidin-1-yl]pyrimidin-4-yl}cyclobutanol
CID 91766252
[1-(2-Aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 56755545
[1-(2,6-Diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
CID 56759545
19-(5-Methyl-2-pyridinyl)-2,15,17,20-tetrazabicyclo[14.3.1]icosa-1(20),16,18-trien-7-ol
CID 76281988
5-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]pentan-1-ol
CID 117849651

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol (CID 56752140) is [1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol is Cc1cc(N2CCCC(CO)(CCCc3ccccc3)C2)nc(N)n1.
What is the InChIKey of [1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The InChIKey is CILSBPSVDVVHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-13-18(23-19(21)22-16)24-12-6-11-20(14-24,15-25)10-5-9-17-7-3-2-4-8-17/h2-4,7-8,13,25H,5-6,9-12,14-15H2,1H3,(H2,21,22,23).
What are the key properties of [1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
[1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol has a molecular weight of 340.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 56752140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).