6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine

C17H24N12 — CID 167068965

IUPAC6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(N)NC(N(CCC2N=C(N)NC(Nc3ccc[nH]3)=N2)c2ccc[nH]2)=N1
InChIInChI=1S/C17H24N12/c1-10-22-14(18)28-17(23-10)29(13-5-3-8-21-13)9-6-12-24-15(19)27-16(26-12)25-11-4-2-7-20-11/h2-5,7-8,10,12,20-21H,6,9H2,1H3,(H3,18,22,23,28)(H4,19,24,25,26,27)
InChIKeyFAZVCMVAQJYGSF-UHFFFAOYSA-N
MW396.46 g/mol
LogP-0.13
Rot. Bonds5

About 6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine

6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 167068965) has the molecular formula C17H24N12 and a molecular weight of 396.46 g/mol. Its IUPAC name is 6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID167068965
Molecular FormulaC17H24N12
Molecular Weight396.46 g/mol
Exact Mass396.22
IUPAC Name6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(N)NC(N(CCC2N=C(N)NC(Nc3ccc[nH]3)=N2)c2ccc[nH]2)=N1
InChIInChI=1S/C17H24N12/c1-10-22-14(18)28-17(23-10)29(13-5-3-8-21-13)9-6-12-24-15(19)27-16(26-12)25-11-4-2-7-20-11/h2-5,7-8,10,12,20-21H,6,9H2,1H3,(H3,18,22,23,28)(H4,19,24,25,26,27)
InChIKeyFAZVCMVAQJYGSF-UHFFFAOYSA-N
XLogP-0.13
TPSA172.39 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 5-0.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze 6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 167068965) is 6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine is CC1N=C(N)NC(N(CCC2N=C(N)NC(Nc3ccc[nH]3)=N2)c2ccc[nH]2)=N1.
What is the InChIKey of 6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is FAZVCMVAQJYGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N12/c1-10-22-14(18)28-17(23-10)29(13-5-3-8-21-13)9-6-12-24-15(19)27-16(26-12)25-11-4-2-7-20-11/h2-5,7-8,10,12,20-21H,6,9H2,1H3,(H3,18,22,23,28)(H4,19,24,25,26,27).
What are the key properties of 6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?
6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 396.46 g/mol, XLogP of -0.13, 5 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-amino-6-(1H-pyrrol-2-ylamino)-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-4-methyl-6-N-(1H-pyrrol-2-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 167068965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).