1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol

C16H26N4O2 — CID 91762966

IUPAC1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol
SMILESCc1nc(NCCN2CCC(O)CC2)cc(C2CC(O)C2)n1
InChIInChI=1S/C16H26N4O2/c1-11-18-15(12-8-14(22)9-12)10-16(19-11)17-4-7-20-5-2-13(21)3-6-20/h10,12-14,21-22H,2-9H2,1H3,(H,17,18,19)
InChIKeyNPDOICRTNRALPH-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.89
Rot. Bonds5

About 1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol

1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol (PubChem CID 91762966) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol
PubChem CID91762966
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol
SMILESCc1nc(NCCN2CCC(O)CC2)cc(C2CC(O)C2)n1
InChIInChI=1S/C16H26N4O2/c1-11-18-15(12-8-14(22)9-12)10-16(19-11)17-4-7-20-5-2-13(21)3-6-20/h10,12-14,21-22H,2-9H2,1H3,(H,17,18,19)
InChIKeyNPDOICRTNRALPH-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
CID 91762907
3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91769346
N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide
CID 91790847
3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
CID 91793673
2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine
CID 126450304
3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91773337
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56719274
6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154902254
2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 119070768
3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91761176
3-[6-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
CID 91775167
6-(3-aminocyclobutyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 91792566

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol (CID 91762966) is 1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol is Cc1nc(NCCN2CCC(O)CC2)cc(C2CC(O)C2)n1.
What is the InChIKey of 1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol?
The InChIKey is NPDOICRTNRALPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-18-15(12-8-14(22)9-12)10-16(19-11)17-4-7-20-5-2-13(21)3-6-20/h10,12-14,21-22H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol?
1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol has a molecular weight of 306.41 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol is sourced from PubChem (CID 91762966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).