3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol

C12H18N2O — CID 105459189

IUPAC3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol
SMILESOCCCc1ncc2c(n1)CCCCC2
InChIInChI=1S/C12H18N2O/c15-8-4-7-12-13-9-10-5-2-1-3-6-11(10)14-12/h9,15H,1-8H2
InChIKeyOHKPZBFRJZVZDT-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.67
Rot. Bonds3

About 3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol

3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol (PubChem CID 105459189) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol
PubChem CID105459189
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol
SMILESOCCCc1ncc2c(n1)CCCCC2
InChIInChI=1S/C12H18N2O/c15-8-4-7-12-13-9-10-5-2-1-3-6-11(10)14-12/h9,15H,1-8H2
InChIKeyOHKPZBFRJZVZDT-UHFFFAOYSA-N
XLogP1.67
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline
CID 82481825
5,6,7,8-tetrahydroquinazolin-2-ylmethanamine
CID 55265501
1-(5,6,7,8-tetrahydroquinazolin-2-yl)propan-2-amine
CID 105445499
2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline
CID 82487373
2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol
CID 105450140
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline
CID 82473451
2-(3-methoxypropyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384699
N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
CID 63549792
5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
CID 83914864
6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine
CID 66490640
2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine
CID 83914930
2-tert-butyl-5,6,7,8-tetrahydroquinazoline
CID 18736797

Frequently Asked Questions

What is the IUPAC name of 3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol?
The IUPAC name of 3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol (CID 105459189) is 3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol is OCCCc1ncc2c(n1)CCCCC2.
What is the InChIKey of 3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol?
The InChIKey is OHKPZBFRJZVZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-8-4-7-12-13-9-10-5-2-1-3-6-11(10)14-12/h9,15H,1-8H2.
What are the key properties of 3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol?
3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol is sourced from PubChem (CID 105459189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).