1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol

C18H23N5O — CID 56746340

IUPAC1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2ncccc2CNc2ncnc3c2CCC3)C1
InChIInChI=1S/C18H23N5O/c24-14-5-3-9-23(11-14)18-13(4-2-8-19-18)10-20-17-15-6-1-7-16(15)21-12-22-17/h2,4,8,12,14,24H,1,3,5-7,9-11H2,(H,20,21,22)
InChIKeyGNJFRKYUMWAENP-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.93
Rot. Bonds4

About 1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol

1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol (PubChem CID 56746340) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol
PubChem CID56746340
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2ncccc2CNc2ncnc3c2CCC3)C1
InChIInChI=1S/C18H23N5O/c24-14-5-3-9-23(11-14)18-13(4-2-8-19-18)10-20-17-15-6-1-7-16(15)21-12-22-17/h2,4,8,12,14,24H,1,3,5-7,9-11H2,(H,20,21,22)
InChIKeyGNJFRKYUMWAENP-UHFFFAOYSA-N
XLogP1.93
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol with MolForge

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Related Compounds

1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol
CID 56738805
(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
N-[(3-ethyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82740111
1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 45229309
N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63306311
N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62833504
1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 45196503
(3R)-1-[3-[[(5-methylfuran-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 25282607
N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 64693026
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 95191432
1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 45204429
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide
CID 56745363

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol (CID 56746340) is 1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol is OC1CCCN(c2ncccc2CNc2ncnc3c2CCC3)C1.
What is the InChIKey of 1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol?
The InChIKey is GNJFRKYUMWAENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-14-5-3-9-23(11-14)18-13(4-2-8-19-18)10-20-17-15-6-1-7-16(15)21-12-22-17/h2,4,8,12,14,24H,1,3,5-7,9-11H2,(H,20,21,22).
What are the key properties of 1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol?
1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol has a molecular weight of 325.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 56746340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).