N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

C15H23N3O — CID 107385185

IUPACN-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCNC1CCCCc2nc(C3CCCOC3)ncc21
InChIInChI=1S/C15H23N3O/c1-16-13-6-2-3-7-14-12(13)9-17-15(18-14)11-5-4-8-19-10-11/h9,11,13,16H,2-8,10H2,1H3
InChIKeyDSOVAXKADSDAAB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds2

About N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107385185) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107385185
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCNC1CCCCc2nc(C3CCCOC3)ncc21
InChIInChI=1S/C15H23N3O/c1-16-13-6-2-3-7-14-12(13)9-17-15(18-14)11-5-4-8-19-10-11/h9,11,13,16H,2-8,10H2,1H3
InChIKeyDSOVAXKADSDAAB-UHFFFAOYSA-N
XLogP2.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385045
2-cyclopropyl-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-amine
CID 83861784
2-cyclopentyl-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385325
2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385123
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
7,7-dimethyl-2-(oxan-3-yl)-6,8-dihydro-5H-quinazolin-5-amine
CID 55242606
N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385131
N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385127
2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 55241641
N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472179
2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 62009869
[2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63740201

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107385185) is N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is CNC1CCCCc2nc(C3CCCOC3)ncc21.
What is the InChIKey of N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is DSOVAXKADSDAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-13-6-2-3-7-14-12(13)9-17-15(18-14)11-5-4-8-19-10-11/h9,11,13,16H,2-8,10H2,1H3.
What are the key properties of N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 261.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107385185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).