(3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol

C18H20N6O2 — CID 118766424

IUPAC(3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol
SMILESO[C@@H]1CN(Cc2cnc(-c3ccco3)nc2)CC[C@H]1Nc1ncccn1
InChIInChI=1S/C18H20N6O2/c25-15-12-24(7-4-14(15)23-18-19-5-2-6-20-18)11-13-9-21-17(22-10-13)16-3-1-8-26-16/h1-3,5-6,8-10,14-15,25H,4,7,11-12H2,(H,19,20,23)/t14-,15-/m1/s1
InChIKeyZNZJKEKSZJFALM-HUUCEWRRSA-N
MW352.40 g/mol
LogP1.57
Rot. Bonds5

About (3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol

(3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol (PubChem CID 118766424) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is (3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol
PubChem CID118766424
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name(3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol
SMILESO[C@@H]1CN(Cc2cnc(-c3ccco3)nc2)CC[C@H]1Nc1ncccn1
InChIInChI=1S/C18H20N6O2/c25-15-12-24(7-4-14(15)23-18-19-5-2-6-20-18)11-13-9-21-17(22-10-13)16-3-1-8-26-16/h1-3,5-6,8-10,14-15,25H,4,7,11-12H2,(H,19,20,23)/t14-,15-/m1/s1
InChIKeyZNZJKEKSZJFALM-HUUCEWRRSA-N
XLogP1.57
TPSA100.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol with MolForge

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Related Compounds

[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone
CID 56917412
3-[[(3S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 95727767
2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine
CID 56915979
(1S,5R)-3-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72894763
2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
CID 95725231
5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
CID 74546182
4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135882171
1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane
CID 70752557
(3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 70769986
N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 172893095
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
(3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 70706284

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol (CID 118766424) is (3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol is O[C@@H]1CN(Cc2cnc(-c3ccco3)nc2)CC[C@H]1Nc1ncccn1.
What is the InChIKey of (3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol?
The InChIKey is ZNZJKEKSZJFALM-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-15-12-24(7-4-14(15)23-18-19-5-2-6-20-18)11-13-9-21-17(22-10-13)16-3-1-8-26-16/h1-3,5-6,8-10,14-15,25H,4,7,11-12H2,(H,19,20,23)/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol?
(3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol has a molecular weight of 352.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol is sourced from PubChem (CID 118766424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).