4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine

C9H15N7 — CID 135043247

IUPAC4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
SMILESC#CCNc1nc(NC)nc(NCCN)n1
InChIInChI=1S/C9H15N7/c1-3-5-12-8-14-7(11-2)15-9(16-8)13-6-4-10/h1H,4-6,10H2,2H3,(H3,11,12,13,14,15,16)
InChIKeyUYPTUMKCDSORGD-UHFFFAOYSA-N
MW221.27 g/mol
LogP-0.67
Rot. Bonds6

About 4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine

4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 135043247) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
PubChem CID135043247
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
SMILESC#CCNc1nc(NC)nc(NCCN)n1
InChIInChI=1S/C9H15N7/c1-3-5-12-8-14-7(11-2)15-9(16-8)13-6-4-10/h1H,4-6,10H2,2H3,(H3,11,12,13,14,15,16)
InChIKeyUYPTUMKCDSORGD-UHFFFAOYSA-N
XLogP-0.67
TPSA100.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;ethoxyethane;methanamine;bis(6-N-methyl-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine);dihydrochloride
CID 159712859
2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90175598
2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 142726691
2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
CID 118119736
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 118432263
2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
CID 123592748
2-[[4-(2-aminoethylamino)-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
CID 59787566
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 17804
6-chloro-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 118444193
2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90175611

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine (CID 135043247) is 4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine is C#CCNc1nc(NC)nc(NCCN)n1.
What is the InChIKey of 4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UYPTUMKCDSORGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-3-5-12-8-14-7(11-2)15-9(16-8)13-6-4-10/h1H,4-6,10H2,2H3,(H3,11,12,13,14,15,16).
What are the key properties of 4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 221.27 g/mol, XLogP of -0.67, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 135043247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).