1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine

C16H19N3O2 — CID 17213568

IUPAC1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine
SMILESc1cnc(Oc2cccc(CNCC3CCCO3)c2)nc1
InChIInChI=1S/C16H19N3O2/c1-4-13(11-17-12-15-6-2-9-20-15)10-14(5-1)21-16-18-7-3-8-19-16/h1,3-5,7-8,10,15,17H,2,6,9,11-12H2
InChIKeyLDZBDSOWLUFSMU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.54
Rot. Bonds6

About 1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine

1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine (PubChem CID 17213568) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine
PubChem CID17213568
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine
SMILESc1cnc(Oc2cccc(CNCC3CCCO3)c2)nc1
InChIInChI=1S/C16H19N3O2/c1-4-13(11-17-12-15-6-2-9-20-15)10-14(5-1)21-16-18-7-3-8-19-16/h1,3-5,7-8,10,15,17H,2,6,9,11-12H2
InChIKeyLDZBDSOWLUFSMU-UHFFFAOYSA-N
XLogP2.54
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 27108901
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27108899
N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine
CID 17213620
2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine
CID 126772483
N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline
CID 54884287
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17213569
1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine
CID 55061002
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 11255511
3-(oxolan-2-ylmethoxy)-N-[(3-phenoxyphenyl)methyl]propan-1-amine
CID 75858662
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine (CID 17213568) is 1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine is c1cnc(Oc2cccc(CNCC3CCCO3)c2)nc1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine?
The InChIKey is LDZBDSOWLUFSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-13(11-17-12-15-6-2-9-20-15)10-14(5-1)21-16-18-7-3-8-19-16/h1,3-5,7-8,10,15,17H,2,6,9,11-12H2.
What are the key properties of 1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine?
1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine is sourced from PubChem (CID 17213568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).