2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

C16H26N4O2 — CID 133324098

IUPAC2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESOCC1CCCN(c2cc(NCC3CCCC3O)ncn2)C1
InChIInChI=1S/C16H26N4O2/c21-10-12-3-2-6-20(9-12)16-7-15(18-11-19-16)17-8-13-4-1-5-14(13)22/h7,11-14,21-22H,1-6,8-10H2,(H,17,18,19)
InChIKeyYRZSRNASLVONDH-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.26
Rot. Bonds5

About 2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 133324098) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID133324098
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESOCC1CCCN(c2cc(NCC3CCCC3O)ncn2)C1
InChIInChI=1S/C16H26N4O2/c21-10-12-3-2-6-20(9-12)16-7-15(18-11-19-16)17-8-13-4-1-5-14(13)22/h7,11-14,21-22H,1-6,8-10H2,(H,17,18,19)
InChIKeyYRZSRNASLVONDH-UHFFFAOYSA-N
XLogP1.26
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

[1-[6-[(4-bromophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133292882
[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304977
[1-[6-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133298767
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297322
1-(3,5-dichlorophenyl)-2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 133308102
[1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133375019
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
[1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133405989
[1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300453
[1-[6-[2-(4-methylpyrazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133281793
[1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133305982
[1-[6-[[2-methyl-2-(3-methylphenyl)propyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304152

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 133324098) is 2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is OCC1CCCN(c2cc(NCC3CCCC3O)ncn2)C1.
What is the InChIKey of 2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is YRZSRNASLVONDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-10-12-3-2-6-20(9-12)16-7-15(18-11-19-16)17-8-13-4-1-5-14(13)22/h7,11-14,21-22H,1-6,8-10H2,(H,17,18,19).
What are the key properties of 2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 306.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 133324098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).