1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol

C17H28N4O2 — CID 50953863

IUPAC1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCN(CC1(CO)CCCC1)c1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C17H28N4O2/c1-20(12-17(13-22)7-2-3-8-17)16-18-9-6-15(19-16)21-10-4-5-14(23)11-21/h6,9,14,22-23H,2-5,7-8,10-13H2,1H3
InChIKeyLXWSOTFRPRRHTA-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.43
Rot. Bonds5

About 1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol

1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 50953863) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID50953863
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCN(CC1(CO)CCCC1)c1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C17H28N4O2/c1-20(12-17(13-22)7-2-3-8-17)16-18-9-6-15(19-16)21-10-4-5-14(23)11-21/h6,9,14,22-23H,2-5,7-8,10-13H2,1H3
InChIKeyLXWSOTFRPRRHTA-UHFFFAOYSA-N
XLogP1.43
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Cyclopentyl(pyrimidin-2-yl)methanol
CID 19892757
1-(2-Chloropyrimidin-4-Yl)Piperidin-3-Ol
CID 22309476
[1-(Pyrimidin-4-yl)piperidin-2-yl]methanol
CID 61254152
1-(2-Aminopyrimidin-4-yl)piperidin-3-ol
CID 66520509
[3-Propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
CID 70778823
1-{6-[(3R*,4R*)-3-cyclopropyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-4-pyrimidinyl}-4-piperidinol
CID 72878549
1-{6-[(3R*,4R*)-3-cyclobutyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-4-pyrimidinyl}-4-piperidinol
CID 72912658
[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
8-(2-Methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746394
[8-(Cyclohexylmethyl)-2-(4-pyrimidinyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910444
[8-(1-Ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921930
(1R,3S)-7-(6-aminopyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 70719171

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol (CID 50953863) is 1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol is CN(CC1(CO)CCCC1)c1nccc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is LXWSOTFRPRRHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20(12-17(13-22)7-2-3-8-17)16-18-9-6-15(19-16)21-10-4-5-14(23)11-21/h6,9,14,22-23H,2-5,7-8,10-13H2,1H3.
What are the key properties of 1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol?
1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 320.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 50953863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).