2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

C17H21N5O — CID 154575569

IUPAC2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESc1cnc(OCC2CCN(c3ccnc(C4CC4)n3)CC2)cn1
InChIInChI=1S/C17H21N5O/c1-2-14(1)17-20-6-3-15(21-17)22-9-4-13(5-10-22)12-23-16-11-18-7-8-19-16/h3,6-8,11,13-14H,1-2,4-5,9-10,12H2
InChIKeyFAMNEZMQAQBMAP-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.44
Rot. Bonds5

About 2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 154575569) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
PubChem CID154575569
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESc1cnc(OCC2CCN(c3ccnc(C4CC4)n3)CC2)cn1
InChIInChI=1S/C17H21N5O/c1-2-14(1)17-20-6-3-15(21-17)22-9-4-13(5-10-22)12-23-16-11-18-7-8-19-16/h3,6-8,11,13-14H,1-2,4-5,9-10,12H2
InChIKeyFAMNEZMQAQBMAP-UHFFFAOYSA-N
XLogP2.44
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-(2-methylpropoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine
CID 75378158
1-[6-(2-Methylpropoxy)pyrazin-2-yl]-4-pyrimidin-2-yl-1,4-diazepane
CID 84587126
3-Pyrazin-2-yl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399491
(3-(Pyrazin-2-yloxy)piperidin-1-yl)(pyrimidin-2-yl)methanone
CID 91627911
2-(4-Pyrazin-2-yloxypiperidin-1-yl)pyrimidine
CID 95811454
4-[2-[1-(5-Fluoropyrazin-2-yl)piperidin-4-yl]pyrimidin-4-yl]morpholine
CID 132405775
N-{[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-3-methoxy-N-methylpyrazin-2-amine
CID 145869111
N-{[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-3-methoxy-N-methylpyrazin-2-amine
CID 145869115
5-Fluoro-2-{4-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 154575549
5-Fluoro-4-{4-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 154583106
2-{4-[(Pyrazin-2-yloxy)methyl]piperidin-1-yl}-4-(trifluoromethyl)pyrimidine
CID 154583110
4-{4-[(Pyrazin-2-yloxy)methyl]piperidin-1-yl}-6-(trifluoromethyl)pyrimidine
CID 154583111

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (CID 154575569) is 2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is c1cnc(OCC2CCN(c3ccnc(C4CC4)n3)CC2)cn1.
What is the InChIKey of 2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is FAMNEZMQAQBMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-14(1)17-20-6-3-15(21-17)22-9-4-13(5-10-22)12-23-16-11-18-7-8-19-16/h3,6-8,11,13-14H,1-2,4-5,9-10,12H2.
What are the key properties of 2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 311.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 154575569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).