N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C14H21N3O — CID 82729364

IUPACN-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCC1OCCC1Nc1ncnc2c1CCCCC2
InChIInChI=1S/C14H21N3O/c1-10-12(7-8-18-10)17-14-11-5-3-2-4-6-13(11)15-9-16-14/h9-10,12H,2-8H2,1H3,(H,15,16,17)
InChIKeyVTBGXJCJDWDVLV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.33
Rot. Bonds2

About N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 82729364) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID82729364
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCC1OCCC1Nc1ncnc2c1CCCCC2
InChIInChI=1S/C14H21N3O/c1-10-12(7-8-18-10)17-14-11-5-3-2-4-6-13(11)15-9-16-14/h9-10,12H,2-8H2,1H3,(H,15,16,17)
InChIKeyVTBGXJCJDWDVLV-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82727853
N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103889241
N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114695362
N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80714080
N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65029507
N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 113239948
N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114632152
N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103990755
2-[(2-methyloxolan-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82728584
4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 86797851
5-methoxy-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82737280
4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid
CID 82729142

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 82729364) is N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CC1OCCC1Nc1ncnc2c1CCCCC2.
What is the InChIKey of N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is VTBGXJCJDWDVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-12(7-8-18-10)17-14-11-5-3-2-4-6-13(11)15-9-16-14/h9-10,12H,2-8H2,1H3,(H,15,16,17).
What are the key properties of N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 247.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 82729364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).