2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

C14H21N3 — CID 107385045

IUPAC2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCNC1CCCCc2nc(C3CCC3)ncc21
InChIInChI=1S/C14H21N3/c1-15-12-7-2-3-8-13-11(12)9-16-14(17-13)10-5-4-6-10/h9-10,12,15H,2-8H2,1H3
InChIKeyPFXLOHVCLUAJFG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.73
Rot. Bonds2

About 2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107385045) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107385045
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCNC1CCCCc2nc(C3CCC3)ncc21
InChIInChI=1S/C14H21N3/c1-15-12-7-2-3-8-13-11(12)9-16-14(17-13)10-5-4-6-10/h9-10,12,15H,2-8H2,1H3
InChIKeyPFXLOHVCLUAJFG-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385185
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
N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385131
2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385197
2-(5-bromothiophen-2-yl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385231
N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385127
2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 62009869
2-(3-bromo-4-methylphenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107915386
N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65131517

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of 2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107385045) is 2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for 2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for 2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is CNC1CCCCc2nc(C3CCC3)ncc21.
What is the InChIKey of 2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is PFXLOHVCLUAJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-15-12-7-2-3-8-13-11(12)9-16-14(17-13)10-5-4-6-10/h9-10,12,15H,2-8H2,1H3.
What are the key properties of 2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 231.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107385045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).