2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine

C18H27N7O2 — CID 126445987

IUPAC2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
SMILESCOCc1nc([C@@H]2CCOC2)cc(N2CCN(CCn3cncn3)CC2)n1
InChIInChI=1S/C18H27N7O2/c1-26-12-17-21-16(15-2-9-27-11-15)10-18(22-17)24-6-3-23(4-7-24)5-8-25-14-19-13-20-25/h10,13-15H,2-9,11-12H2,1H3/t15-/m1/s1
InChIKeyZSSTYASUKOYXQM-OAHLLOKOSA-N
MW373.46 g/mol
LogP0.54
Rot. Bonds7

About 2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine

2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine (PubChem CID 126445987) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
PubChem CID126445987
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Name2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
SMILESCOCc1nc([C@@H]2CCOC2)cc(N2CCN(CCn3cncn3)CC2)n1
InChIInChI=1S/C18H27N7O2/c1-26-12-17-21-16(15-2-9-27-11-15)10-18(22-17)24-6-3-23(4-7-24)5-8-25-14-19-13-20-25/h10,13-15H,2-9,11-12H2,1H3/t15-/m1/s1
InChIKeyZSSTYASUKOYXQM-OAHLLOKOSA-N
XLogP0.54
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 119061228
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol
CID 126442787
1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 126438234
4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine
CID 126446346
(1S,5R)-3-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 126436849
[4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 125162220
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
CID 126441110
2-[[4-[(3R)-oxolan-3-yl]-6-(4-propylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126424481
4-[(3S)-oxolan-3-yl]-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-2-amine
CID 126430353
N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119070220
4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine
CID 125424003

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine (CID 126445987) is 2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine is COCc1nc([C@@H]2CCOC2)cc(N2CCN(CCn3cncn3)CC2)n1.
What is the InChIKey of 2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is ZSSTYASUKOYXQM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-26-12-17-21-16(15-2-9-27-11-15)10-18(22-17)24-6-3-23(4-7-24)5-8-25-14-19-13-20-25/h10,13-15H,2-9,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine?
2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 373.46 g/mol, XLogP of 0.54, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 126445987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).