N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine

C12H15N3 — CID 142228197

IUPACN,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine
SMILESCc1nc(N(C)C)c2c(n1)=CC=CCC=2
InChIInChI=1S/C12H15N3/c1-9-13-11-8-6-4-5-7-10(11)12(14-9)15(2)3/h4,6-8H,5H2,1-3H3
InChIKeyDQMLXNLZDNQFRX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.37
Rot. Bonds1

About N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine

N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 142228197) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine
PubChem CID142228197
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine
SMILESCc1nc(N(C)C)c2c(n1)=CC=CCC=2
InChIInChI=1S/C12H15N3/c1-9-13-11-8-6-4-5-7-10(11)12(14-9)15(2)3/h4,6-8H,5H2,1-3H3
InChIKeyDQMLXNLZDNQFRX-UHFFFAOYSA-N
XLogP0.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134971132
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N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 91526316
1-ethenyl-N,5-dimethylpyridin-2-imine
CID 122691861
3-Methylcyclohepta[d]pyrimidin-3-ium
CID 123554973
N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
N,1-bis(ethenyl)-5-methylpyridin-2-imine
CID 139527751
(5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine
CID 142229076
N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142229587
N-ethenyl-1,5-dimethylpyridin-2-imine
CID 144782673
1,5-bis(ethenyl)-N-methylpyridin-2-imine
CID 145471810
N,5-dimethyl-1-prop-1-en-2-ylpyridin-2-imine
CID 166460777

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine (CID 142228197) is N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine is Cc1nc(N(C)C)c2c(n1)=CC=CCC=2.
What is the InChIKey of N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is DQMLXNLZDNQFRX-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/h4,6-8H,5H2,1-3H3.
What are the key properties of N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine?
N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 201.27 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 142228197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).