N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine

C12H15N3 — CID 142228482

IUPACN,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine
SMILESCC1=NC2C=CC=CC=C2C(N(C)C)=N1
InChIInChI=1S/C12H15N3/c1-9-13-11-8-6-4-5-7-10(11)12(14-9)15(2)3/h4-8,11H,1-3H3
InChIKeyQXFVYLBYNNQSNQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.80
Rot. Bonds

About N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine

N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine (PubChem CID 142228482) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine
PubChem CID142228482
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine
SMILESCC1=NC2C=CC=CC=C2C(N(C)C)=N1
InChIInChI=1S/C12H15N3/c1-9-13-11-8-6-4-5-7-10(11)12(14-9)15(2)3/h4-8,11H,1-3H3
InChIKeyQXFVYLBYNNQSNQ-UHFFFAOYSA-N
XLogP1.80
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N,N,2,5-tetramethyl-2,3-dihydropyridin-6-amine
CID 67991658
N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine
CID 91462281
N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142228197
ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine
CID 142228891
N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine
CID 142228892
4-N,4-N-dimethyl-8,8a-dihydroquinazoline-2,4-diamine
CID 142229046
(5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine
CID 142229076
(5Z)-5-[(Z)-but-2-enylidene]-4-ethenyl-N,N,2-trimethyl-4,6-dihydro-1,3-diazepin-7-amine
CID 142229546
N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142229587
N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine
CID 142230302
N,N,4-trimethyl-3,5-diazabicyclo[5.5.0]dodeca-1(12),2,4,7,10-pentaen-2-amine
CID 142230500
(3E)-N,N-dimethyl-4-methylidene-3-prop-2-enylidenepyridin-2-amine
CID 142471394

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine (CID 142228482) is N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine is CC1=NC2C=CC=CC=C2C(N(C)C)=N1.
What is the InChIKey of N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is QXFVYLBYNNQSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-13-11-8-6-4-5-7-10(11)12(14-9)15(2)3/h4-8,11H,1-3H3.
What are the key properties of N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine?
N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 201.27 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 142228482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).