1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol

C13H17N5O — CID 115265268

IUPAC1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESOC1CCCN(c2cc(Nc3ccc[nH]3)ncn2)C1
InChIInChI=1S/C13H17N5O/c19-10-3-2-6-18(8-10)13-7-12(15-9-16-13)17-11-4-1-5-14-11/h1,4-5,7,9-10,14,19H,2-3,6,8H2,(H,15,16,17)
InChIKeyPIEQUSBYEKOIDG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.51
Rot. Bonds3

About 1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol

1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 115265268) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
PubChem CID115265268
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESOC1CCCN(c2cc(Nc3ccc[nH]3)ncn2)C1
InChIInChI=1S/C13H17N5O/c19-10-3-2-6-18(8-10)13-7-12(15-9-16-13)17-11-4-1-5-14-11/h1,4-5,7,9-10,14,19H,2-3,6,8H2,(H,15,16,17)
InChIKeyPIEQUSBYEKOIDG-UHFFFAOYSA-N
XLogP1.51
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
CID 66569760
(3S)-1-[6-(2-fluoroanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975918
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112864416
1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol
CID 121206025
(3S)-1-[6-(4-methoxyanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975929
1-[1-(6-anilinopyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 167963785
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
[1-[6-[(4-bromophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133292882
4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971029
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
CID 47151307
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 133324098

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol (CID 115265268) is 1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol is OC1CCCN(c2cc(Nc3ccc[nH]3)ncn2)C1.
What is the InChIKey of 1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is PIEQUSBYEKOIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-10-3-2-6-18(8-10)13-7-12(15-9-16-13)17-11-4-1-5-14-11/h1,4-5,7,9-10,14,19H,2-3,6,8H2,(H,15,16,17).
What are the key properties of 1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol?
1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 259.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 115265268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).