1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol

C18H22N4O — CID 134707232

IUPAC1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESOC1CCCN(c2ccnc(NC3Cc4ccccc4C3)n2)C1
InChIInChI=1S/C18H22N4O/c23-16-6-3-9-22(12-16)17-7-8-19-18(21-17)20-15-10-13-4-1-2-5-14(13)11-15/h1-2,4-5,7-8,15-16,23H,3,6,9-12H2,(H,19,20,21)
InChIKeyYVHSEZMBJAEIEK-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.02
Rot. Bonds3

About 1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol

1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 134707232) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
PubChem CID134707232
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESOC1CCCN(c2ccnc(NC3Cc4ccccc4C3)n2)C1
InChIInChI=1S/C18H22N4O/c23-16-6-3-9-22(12-16)17-7-8-19-18(21-17)20-15-10-13-4-1-2-5-14(13)11-15/h1-2,4-5,7-8,15-16,23H,3,6,9-12H2,(H,19,20,21)
InChIKeyYVHSEZMBJAEIEK-UHFFFAOYSA-N
XLogP2.02
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine
CID 178065871
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286
(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50975698
4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine
CID 76709122
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135100300
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 134703687
1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50958722
3-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-5-methyl-1H-pyrazole-4-carbonitrile
CID 164689364
1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135088444

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol (CID 134707232) is 1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol is OC1CCCN(c2ccnc(NC3Cc4ccccc4C3)n2)C1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is YVHSEZMBJAEIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-16-6-3-9-22(12-16)17-7-8-19-18(21-17)20-15-10-13-4-1-2-5-14(13)11-15/h1-2,4-5,7-8,15-16,23H,3,6,9-12H2,(H,19,20,21).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol?
1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 310.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 134707232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).