ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen

C15H25N7O — CID 176556468

IUPACethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen
SMILESCC.Cc1cnc(N2CCN(c3ncncn3)C(CO)C2)nc1.[H][H]
InChIInChI=1S/C13H17N7O.C2H6.H2/c1-10-4-15-12(16-5-10)19-2-3-20(11(6-19)7-21)13-17-8-14-9-18-13;1-2;/h4-5,8-9,11,21H,2-3,6-7H2,1H3;1-2H3;1H
InChIKeyRVRWZLJRQPGZBW-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.93
Rot. Bonds3

About ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen

ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen (PubChem CID 176556468) has the molecular formula C15H25N7O and a molecular weight of 319.41 g/mol. Its IUPAC name is ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen.

Molecular Properties

Compound Nameethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen
PubChem CID176556468
Molecular FormulaC15H25N7O
Molecular Weight319.41 g/mol
Exact Mass319.21
IUPAC Nameethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen
SMILESCC.Cc1cnc(N2CCN(c3ncncn3)C(CO)C2)nc1.[H][H]
InChIInChI=1S/C13H17N7O.C2H6.H2/c1-10-4-15-12(16-5-10)19-2-3-20(11(6-19)7-21)13-17-8-14-9-18-13;1-2;/h4-5,8-9,11,21H,2-3,6-7H2,1H3;1-2H3;1H
InChIKeyRVRWZLJRQPGZBW-UHFFFAOYSA-N
XLogP0.93
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine
CID 176556495
ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol
CID 176556513
2-[2-(2,2-dimethoxyethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine;ethane;methane;methanethiol;thiohypoiodous acid
CID 176556417
2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 114800840
2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
CID 133404031
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine
CID 142345663
2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol
CID 72870710
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
2-[(2R)-4-[5-[2-[2-[1-(3-fluoropropyl)pyrazol-4-yl]pyrimidin-5-yl]ethynyl]pyrimidin-2-yl]-2-(methoxymethyl)piperazin-1-yl]-1,3,5-triazine
CID 178066059
2-[(2R)-2-[2-(2-fluoroethoxy)ethoxymethyl]-4-[5-[2-[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethynyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazine
CID 178066031
3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63761067

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen?
The IUPAC name of ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen (CID 176556468) is ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen.
What is the SMILES notation for ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen?
The canonical SMILES for ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen is CC.Cc1cnc(N2CCN(c3ncncn3)C(CO)C2)nc1.[H][H].
What is the InChIKey of ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen?
The InChIKey is RVRWZLJRQPGZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O.C2H6.H2/c1-10-4-15-12(16-5-10)19-2-3-20(11(6-19)7-21)13-17-8-14-9-18-13;1-2;/h4-5,8-9,11,21H,2-3,6-7H2,1H3;1-2H3;1H.
What are the key properties of ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen?
ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen has a molecular weight of 319.41 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen is sourced from PubChem (CID 176556468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).