6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H23N7 — CID 116653008

IUPAC6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CN(C)C(CN)C2CC2)n1
InChIInChI=1S/C12H23N7/c1-18(2)12-16-10(15-11(14)17-12)7-19(3)9(6-13)8-4-5-8/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyMQRUIKOWVPINMX-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.31
Rot. Bonds6

About 6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 116653008) has the molecular formula C12H23N7 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID116653008
Molecular FormulaC12H23N7
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Name6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CN(C)C(CN)C2CC2)n1
InChIInChI=1S/C12H23N7/c1-18(2)12-16-10(15-11(14)17-12)7-19(3)9(6-13)8-4-5-8/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyMQRUIKOWVPINMX-UHFFFAOYSA-N
XLogP-0.31
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 116653008) is 6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CN(C)C(CN)C2CC2)n1.
What is the InChIKey of 6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MQRUIKOWVPINMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7/c1-18(2)12-16-10(15-11(14)17-12)7-19(3)9(6-13)8-4-5-8/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 265.36 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 116653008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).