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

C17H21N3O — CID 126453717

IUPACN-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1ccccc1CCNc1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C17H21N3O/c1-13-4-2-3-5-14(13)6-8-18-17-10-16(19-12-20-17)15-7-9-21-11-15/h2-5,10,12,15H,6-9,11H2,1H3,(H,18,19,20)/t15-/m0/s1
InChIKeyJWQBXDHWFLMDCE-HNNXBMFYSA-N
MW283.38 g/mol
LogP2.94
Rot. Bonds5

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

N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126453717) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126453717
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1ccccc1CCNc1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C17H21N3O/c1-13-4-2-3-5-14(13)6-8-18-17-10-16(19-12-20-17)15-7-9-21-11-15/h2-5,10,12,15H,6-9,11H2,1H3,(H,18,19,20)/t15-/m0/s1
InChIKeyJWQBXDHWFLMDCE-HNNXBMFYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125177138
N-[2-(2-ethoxyphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126431410
6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine
CID 126447609
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
N-(3-methyl-4-pyridinyl)-N'-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 126452694
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 126848768
N-[2-(2-chlorophenoxy)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119065142
N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125170663
N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 119064821
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine
CID 119074868
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126427543
4-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]butanoic acid
CID 118770776

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 126453717) is N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is Cc1ccccc1CCNc1cc([C@H]2CCOC2)ncn1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is JWQBXDHWFLMDCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-4-2-3-5-14(13)6-8-18-17-10-16(19-12-20-17)15-7-9-21-11-15/h2-5,10,12,15H,6-9,11H2,1H3,(H,18,19,20)/t15-/m0/s1.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126453717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).