4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine

C14H20N8 — CID 117084981

IUPAC4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2ccncn2)nc(NC2CC2)n1
InChIInChI=1S/C14H20N8/c1-3-22(4-2)14-20-12(17-10-5-6-10)19-13(21-14)18-11-7-8-15-9-16-11/h7-10H,3-6H2,1-2H3,(H2,15,16,17,18,19,20,21)
InChIKeyJRVXZRPZOUODKI-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.83
Rot. Bonds7

About 4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine

4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 117084981) has the molecular formula C14H20N8 and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID117084981
Molecular FormulaC14H20N8
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2ccncn2)nc(NC2CC2)n1
InChIInChI=1S/C14H20N8/c1-3-22(4-2)14-20-12(17-10-5-6-10)19-13(21-14)18-11-7-8-15-9-16-11/h7-10H,3-6H2,1-2H3,(H2,15,16,17,18,19,20,21)
InChIKeyJRVXZRPZOUODKI-UHFFFAOYSA-N
XLogP1.83
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine
CID 117083842
4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
CID 117093528
2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 80772562
N-(4-methoxycyclohexyl)pyrimidin-4-amine
CID 123137829
N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine
CID 57208606
2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882242
4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
CID 117088890
N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 62398968
6-N-ethyl-2-N,2-N-dimethyl-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 80771442
3-[[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
CID 80832237
2-N,2-N-diethyl-6-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80773355
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine (CID 117084981) is 4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(Nc2ccncn2)nc(NC2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JRVXZRPZOUODKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8/c1-3-22(4-2)14-20-12(17-10-5-6-10)19-13(21-14)18-11-7-8-15-9-16-11/h7-10H,3-6H2,1-2H3,(H2,15,16,17,18,19,20,21).
What are the key properties of 4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine?
4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 300.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 117084981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).