N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

C16H23N5O3 — CID 126450398

IUPACN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCCc1noc(CCNc2cc([C@@H]3CCOC3)nc(COC)n2)n1
InChIInChI=1S/C16H23N5O3/c1-3-13-20-16(24-21-13)4-6-17-14-8-12(11-5-7-23-9-11)18-15(19-14)10-22-2/h8,11H,3-7,9-10H2,1-2H3,(H,17,18,19)/t11-/m1/s1
InChIKeyVLUUAEKLNVGOLG-LLVKDONJSA-N
MW333.39 g/mol
LogP1.73
Rot. Bonds8

About N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126450398) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126450398
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCCc1noc(CCNc2cc([C@@H]3CCOC3)nc(COC)n2)n1
InChIInChI=1S/C16H23N5O3/c1-3-13-20-16(24-21-13)4-6-17-14-8-12(11-5-7-23-9-11)18-15(19-14)10-22-2/h8,11H,3-7,9-10H2,1-2H3,(H,17,18,19)/t11-/m1/s1
InChIKeyVLUUAEKLNVGOLG-LLVKDONJSA-N
XLogP1.73
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119061530
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118787512
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126429104
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126447830
N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119070220
6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424198
[4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 125162220
4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 118771530
(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
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126442663
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119068755
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
CID 126441110

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (CID 126450398) is N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is CCc1noc(CCNc2cc([C@@H]3CCOC3)nc(COC)n2)n1.
What is the InChIKey of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is VLUUAEKLNVGOLG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-3-13-20-16(24-21-13)4-6-17-14-8-12(11-5-7-23-9-11)18-15(19-14)10-22-2/h8,11H,3-7,9-10H2,1-2H3,(H,17,18,19)/t11-/m1/s1.
What are the key properties of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 333.39 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126450398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).