6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine

C14H21N7 — CID 50964810

IUPAC6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine
SMILESCc1nccn1CCN(C)c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C14H21N7/c1-10-16-5-6-21(10)8-7-20(2)13-9-12(17-11-3-4-11)18-14(15)19-13/h5-6,9,11H,3-4,7-8H2,1-2H3,(H3,15,17,18,19)
InChIKeyAUPPDJZAEJXMIE-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.27
Rot. Bonds6

About 6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine

6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine (PubChem CID 50964810) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine
PubChem CID50964810
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine
SMILESCc1nccn1CCN(C)c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C14H21N7/c1-10-16-5-6-21(10)8-7-20(2)13-9-12(17-11-3-4-11)18-14(15)19-13/h5-6,9,11H,3-4,7-8H2,1-2H3,(H3,15,17,18,19)
InChIKeyAUPPDJZAEJXMIE-UHFFFAOYSA-N
XLogP1.27
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine (CID 50964810) is 6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine is Cc1nccn1CCN(C)c1cc(NC2CC2)nc(N)n1.
What is the InChIKey of 6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine?
The InChIKey is AUPPDJZAEJXMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-10-16-5-6-21(10)8-7-20(2)13-9-12(17-11-3-4-11)18-14(15)19-13/h5-6,9,11H,3-4,7-8H2,1-2H3,(H3,15,17,18,19).
What are the key properties of 6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine?
6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine has a molecular weight of 287.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-4-N-methyl-4-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 50964810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).