N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C18H23N3O2 — CID 126431410

IUPACN-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCCOc1ccccc1CCNc1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C18H23N3O2/c1-2-23-17-6-4-3-5-14(17)7-9-19-18-11-16(20-13-21-18)15-8-10-22-12-15/h3-6,11,13,15H,2,7-10,12H2,1H3,(H,19,20,21)/t15-/m0/s1
InChIKeyRGTSTSOCVWQBQY-HNNXBMFYSA-N
MW313.40 g/mol
LogP3.03
Rot. Bonds7

About N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126431410) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126431410
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCCOc1ccccc1CCNc1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C18H23N3O2/c1-2-23-17-6-4-3-5-14(17)7-9-19-18-11-16(20-13-21-18)15-8-10-22-12-15/h3-6,11,13,15H,2,7-10,12H2,1H3,(H,19,20,21)/t15-/m0/s1
InChIKeyRGTSTSOCVWQBQY-HNNXBMFYSA-N
XLogP3.03
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125177138
N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126453717
N-[2-(2-chlorophenoxy)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119065142
6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine
CID 126447609
N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126444261
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 126848753
N-[2-(4-fluorophenoxy)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119067292
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 126848768
N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125170663
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine
CID 119074868
N-(3-methyl-4-pyridinyl)-N'-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 126452694

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 126431410) is N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is CCOc1ccccc1CCNc1cc([C@H]2CCOC2)ncn1.
What is the InChIKey of N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is RGTSTSOCVWQBQY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-23-17-6-4-3-5-14(17)7-9-19-18-11-16(20-13-21-18)15-8-10-22-12-15/h3-6,11,13,15H,2,7-10,12H2,1H3,(H,19,20,21)/t15-/m0/s1.
What are the key properties of N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 313.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126431410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).