5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one

C12H20N6O2 — CID 80837784

IUPAC5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCNc1nc(NCC2CCC(=O)N2)nc(OC(C)C)n1
InChIInChI=1S/C12H20N6O2/c1-7(2)20-12-17-10(13-3)16-11(18-12)14-6-8-4-5-9(19)15-8/h7-8H,4-6H2,1-3H3,(H,15,19)(H2,13,14,16,17,18)
InChIKeyFOHGCSGDOQVVLV-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.39
Rot. Bonds6

About 5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one

5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 80837784) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
PubChem CID80837784
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCNc1nc(NCC2CCC(=O)N2)nc(OC(C)C)n1
InChIInChI=1S/C12H20N6O2/c1-7(2)20-12-17-10(13-3)16-11(18-12)14-6-8-4-5-9(19)15-8/h7-8H,4-6H2,1-3H3,(H,15,19)(H2,13,14,16,17,18)
InChIKeyFOHGCSGDOQVVLV-UHFFFAOYSA-N
XLogP0.39
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80836534
2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80820286
5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 112691898
4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 114102497
5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one
CID 114448549
5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80823542
5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 103328237
5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80837512
N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 80787221
5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
CID 80837875
4-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
CID 81134636
2-N-(4-ethylcyclohexyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80782197

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one (CID 80837784) is 5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one is CNc1nc(NCC2CCC(=O)N2)nc(OC(C)C)n1.
What is the InChIKey of 5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is FOHGCSGDOQVVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-7(2)20-12-17-10(13-3)16-11(18-12)14-6-8-4-5-9(19)15-8/h7-8H,4-6H2,1-3H3,(H,15,19)(H2,13,14,16,17,18).
What are the key properties of 5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 280.33 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80837784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).