(3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol

C17H21N5O — CID 95801272

IUPAC(3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(c2ncc(-c3cnccn3)c(C3CC3)n2)CC[C@@H]1O
InChIInChI=1S/C17H21N5O/c1-11-10-22(7-4-15(11)23)17-20-8-13(14-9-18-5-6-19-14)16(21-17)12-2-3-12/h5-6,8-9,11-12,15,23H,2-4,7,10H2,1H3/t11-,15-/m0/s1
InChIKeyKPESEBDPNQCNKO-NHYWBVRUSA-N
MW311.39 g/mol
LogP2.02
Rot. Bonds3

About (3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol

(3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol (PubChem CID 95801272) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol
PubChem CID95801272
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(c2ncc(-c3cnccn3)c(C3CC3)n2)CC[C@@H]1O
InChIInChI=1S/C17H21N5O/c1-11-10-22(7-4-15(11)23)17-20-8-13(14-9-18-5-6-19-14)16(21-17)12-2-3-12/h5-6,8-9,11-12,15,23H,2-4,7,10H2,1H3/t11-,15-/m0/s1
InChIKeyKPESEBDPNQCNKO-NHYWBVRUSA-N
XLogP2.02
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol
CID 51590868
(3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol
CID 124912954
N,4-dicyclopropyl-5-pyrazin-2-ylpyrimidin-2-amine
CID 95857494
1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol
CID 114679663
1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol
CID 95800063
1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol
CID 110220030
3-methyl-1-(1-methylimidazo[4,5-c]pyridin-2-yl)piperidin-4-ol
CID 166247379
4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine
CID 46953474
[4-[2-(4-methylpiperidin-1-yl)-5-methylsulfonylpyrimidin-4-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95798605
3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 105062852
1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol
CID 114684030
1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol
CID 114679678

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol?
The IUPAC name of (3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol (CID 95801272) is (3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol is C[C@H]1CN(c2ncc(-c3cnccn3)c(C3CC3)n2)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol?
The InChIKey is KPESEBDPNQCNKO-NHYWBVRUSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11-10-22(7-4-15(11)23)17-20-8-13(14-9-18-5-6-19-14)16(21-17)12-2-3-12/h5-6,8-9,11-12,15,23H,2-4,7,10H2,1H3/t11-,15-/m0/s1.
What are the key properties of (3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol?
(3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol has a molecular weight of 311.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 95801272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).