4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine

C11H14N4 — CID 142230032

IUPAC4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(N)nc2c1=CC=CCC=2
InChIInChI=1S/C11H14N4/c1-15(2)10-8-6-4-3-5-7-9(8)13-11(12)14-10/h3-4,6-7H,5H2,1-2H3,(H2,12,13)
InChIKeyGOPDXGDSVPRJIZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP-0.35
Rot. Bonds1

About 4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine

4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine (PubChem CID 142230032) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine
PubChem CID142230032
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(N)nc2c1=CC=CCC=2
InChIInChI=1S/C11H14N4/c1-15(2)10-8-6-4-3-5-7-9(8)13-11(12)14-10/h3-4,6-7H,5H2,1-2H3,(H2,12,13)
InChIKeyGOPDXGDSVPRJIZ-UHFFFAOYSA-N
XLogP-0.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5E,6E)-5,6-bis(prop-2-enylidene)pyrimidin-4-amine
CID 132097819
(5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine
CID 134443369
(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrimidin-4-amine
CID 138747413
(5E,6E)-6-[(Z)-but-2-enylidene]-5-prop-2-enylidenepyrimidin-4-amine
CID 142159911
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
N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide
CID 142229617
(5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine
CID 166782413
(5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine
CID 166782810
6H-pyrimido[5,4-c]azepin-4-amine
CID 172552183
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

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine (CID 142230032) is 4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine is CN(C)c1nc(N)nc2c1=CC=CCC=2.
What is the InChIKey of 4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine?
The InChIKey is GOPDXGDSVPRJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15(2)10-8-6-4-3-5-7-9(8)13-11(12)14-10/h3-4,6-7H,5H2,1-2H3,(H2,12,13).
What are the key properties of 4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine has a molecular weight of 202.26 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-8H-cyclohepta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 142230032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).