4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine

C11H18N4 — CID 80935033

IUPAC4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NC2CC2(C)C)n1
InChIInChI=1S/C11H18N4/c1-4-9-14-8(12)5-10(15-9)13-7-6-11(7,2)3/h5,7H,4,6H2,1-3H3,(H3,12,13,14,15)
InChIKeyJGOQNVLJMIYOTK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.83
Rot. Bonds3

About 4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine

4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine (PubChem CID 80935033) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine
PubChem CID80935033
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NC2CC2(C)C)n1
InChIInChI=1S/C11H18N4/c1-4-9-14-8(12)5-10(15-9)13-7-6-11(7,2)3/h5,7H,4,6H2,1-3H3,(H3,12,13,14,15)
InChIKeyJGOQNVLJMIYOTK-UHFFFAOYSA-N
XLogP1.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine (CID 80935033) is 4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine is CCc1nc(N)cc(NC2CC2(C)C)n1.
What is the InChIKey of 4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine?
The InChIKey is JGOQNVLJMIYOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-4-9-14-8(12)5-10(15-9)13-7-6-11(7,2)3/h5,7H,4,6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine?
4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80935033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).