N,N,2-trimethylcyclohepta[d]pyrimidin-4-amine

C12H13N3 — CID 142231616

IUPACN,N,2-trimethylcyclohepta[d]pyrimidin-4-amine
SMILESCc1nc(N(C)C)c2c(n1)=C=CC=CC=2
InChIInChI=1S/C12H13N3/c1-9-13-11-8-6-4-5-7-10(11)12(14-9)15(2)3/h4-7H,1-3H3
InChIKeyZERQYGFJUMXQFD-UHFFFAOYSA-N
MW199.26 g/mol
LogP0.14
Rot. Bonds1

About N,N,2-trimethylcyclohepta[d]pyrimidin-4-amine

N,N,2-trimethylcyclohepta[d]pyrimidin-4-amine (PubChem CID 142231616) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N,N,2-trimethylcyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethylcyclohepta[d]pyrimidin-4-amine
PubChem CID142231616
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN,N,2-trimethylcyclohepta[d]pyrimidin-4-amine
SMILESCc1nc(N(C)C)c2c(n1)=C=CC=CC=2
InChIInChI=1S/C12H13N3/c1-9-13-11-8-6-4-5-7-10(11)12(14-9)15(2)3/h4-7H,1-3H3
InChIKeyZERQYGFJUMXQFD-UHFFFAOYSA-N
XLogP0.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142228197
N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142229587
5,6-bis(ethenyl)-2-ethyl-3-methyl-4H-pyrimidine
CID 145681479
N,N,2-trimethyl-8H-cyclohepta[d]pyrimidin-4-amine
CID 142228227
(5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine
CID 142228454
N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine
CID 142228482
N'-ethyl-N,N-dimethyl-7-(methylideneamino)cyclohepta-1,3,6-triene-1-carboximidamide
CID 142229830
(5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine
CID 142229877
4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230032
(5E)-5-ethylidene-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine
CID 142230120
(4aE,7Z)-N,N,2-trimethyl-6,9-dihydrocycloocta[d]pyrimidin-4-amine
CID 142230915

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethylcyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N,N,2-trimethylcyclohepta[d]pyrimidin-4-amine (CID 142231616) is N,N,2-trimethylcyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N,N,2-trimethylcyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N,N,2-trimethylcyclohepta[d]pyrimidin-4-amine is Cc1nc(N(C)C)c2c(n1)=C=CC=CC=2.
What is the InChIKey of N,N,2-trimethylcyclohepta[d]pyrimidin-4-amine?
The InChIKey is ZERQYGFJUMXQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-13-11-8-6-4-5-7-10(11)12(14-9)15(2)3/h4-7H,1-3H3.
What are the key properties of N,N,2-trimethylcyclohepta[d]pyrimidin-4-amine?
N,N,2-trimethylcyclohepta[d]pyrimidin-4-amine has a molecular weight of 199.26 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethylcyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 142231616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).