6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

C9H17N7 — CID 103576707

IUPAC6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC1CN(Cc2nc(N)nc(N)n2)CC1N
InChIInChI=1S/C9H17N7/c1-5-2-16(3-6(5)10)4-7-13-8(11)15-9(12)14-7/h5-6H,2-4,10H2,1H3,(H4,11,12,13,14,15)
InChIKeyLWBFBYBWHGRZML-UHFFFAOYSA-N
MW223.28 g/mol
LogP-1.18
Rot. Bonds2

About 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 103576707) has the molecular formula C9H17N7 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID103576707
Molecular FormulaC9H17N7
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC1CN(Cc2nc(N)nc(N)n2)CC1N
InChIInChI=1S/C9H17N7/c1-5-2-16(3-6(5)10)4-7-13-8(11)15-9(12)14-7/h5-6H,2-4,10H2,1H3,(H4,11,12,13,14,15)
InChIKeyLWBFBYBWHGRZML-UHFFFAOYSA-N
XLogP-1.18
TPSA119.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 26553415
6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 104977266
4-methyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-amine
CID 103576636
6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 130685335
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
CID 103577002
4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine
CID 103577122
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576788
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909215
4-methyl-1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 103577352
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586
4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 103575106
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 103576707) is 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is CC1CN(Cc2nc(N)nc(N)n2)CC1N.
What is the InChIKey of 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LWBFBYBWHGRZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N7/c1-5-2-16(3-6(5)10)4-7-13-8(11)15-9(12)14-7/h5-6H,2-4,10H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 223.28 g/mol, XLogP of -1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 103576707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).