2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C12H22N6 — CID 80797993

IUPAC2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N(C)C)nc(N(C)CC2CC2)n1
InChIInChI=1S/C12H22N6/c1-5-13-10-14-11(17(2)3)16-12(15-10)18(4)8-9-6-7-9/h9H,5-8H2,1-4H3,(H,13,14,15,16)
InChIKeyGCGFHMCDFRMEKS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.22
Rot. Bonds6

About 2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine

2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80797993) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80797993
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N(C)C)nc(N(C)CC2CC2)n1
InChIInChI=1S/C12H22N6/c1-5-13-10-14-11(17(2)3)16-12(15-10)18(4)8-9-6-7-9/h9H,5-8H2,1-4H3,(H,13,14,15,16)
InChIKeyGCGFHMCDFRMEKS-UHFFFAOYSA-N
XLogP1.22
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-2-N-(cyclohexylmethyl)-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800037
1-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 80848223
6-N-ethyl-2-N,4-N,4-N-trimethyl-2-N-(1-methylpiperidin-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 80803845
6-N-ethyl-2-N,2-N-dimethyl-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 80771442
6-chloro-2-N,2-N-bis(cyclopropylmethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80834947
2-N-butyl-2-N-cyclopropyl-6-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80799249
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80827383
6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80846060
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111
6-N-ethyl-2-N,4-N,4-N-trimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
CID 80792076
4-N-(cyclopentylmethyl)-2-N,2-N-diethyl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816084
2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80797891

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80797993) is 2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(N(C)C)nc(N(C)CC2CC2)n1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GCGFHMCDFRMEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-5-13-10-14-11(17(2)3)16-12(15-10)18(4)8-9-6-7-9/h9H,5-8H2,1-4H3,(H,13,14,15,16).
What are the key properties of 2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 250.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80797993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).