2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide

C16H31N7O — CID 597304

IUPAC2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NC(CC(C)C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C16H31N7O/c1-9(2)7-11(17)14(24)19-12(8-10(3)4)13-20-15(18)22-16(21-13)23(5)6/h9-12H,7-8,17H2,1-6H3,(H,19,24)(H2,18,20,21,22)
InChIKeyZQNVYBIFVXOUCM-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.10
Rot. Bonds8

About 2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide

2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide (PubChem CID 597304) has the molecular formula C16H31N7O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide
PubChem CID597304
Molecular FormulaC16H31N7O
Molecular Weight337.47 g/mol
Exact Mass337.26
IUPAC Name2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NC(CC(C)C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C16H31N7O/c1-9(2)7-11(17)14(24)19-12(8-10(3)4)13-20-15(18)22-16(21-13)23(5)6/h9-12H,7-8,17H2,1-6H3,(H,19,24)(H2,18,20,21,22)
InChIKeyZQNVYBIFVXOUCM-UHFFFAOYSA-N
XLogP1.10
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide with MolForge

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Related Compounds

3-[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 133421694
[4-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone
CID 42888235
2-Amino-N-(1-[((1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl)amino)carbonyl]-3-methylbutyl)-4-methylpentanamide
CID 624283
4-Methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 20589940
5-Methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 20590033
6-Methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 20590123
N-cyclopropyl-4-ethyl-5-[N'-[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]carbamimidoyl]iminohexanamide
CID 91003784
N,4,6-tributyl-1,3,5-triazine-2-carboxamide
CID 140440054
2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide
CID 142081502
2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3,5-dimethyl-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide
CID 144105388
N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide
CID 163515594
3-cyclopropyl-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-iodopropanamide
CID 163853874

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide (CID 597304) is 2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide is CC(C)CC(N)C(=O)NC(CC(C)C)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide?
The InChIKey is ZQNVYBIFVXOUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N7O/c1-9(2)7-11(17)14(24)19-12(8-10(3)4)13-20-15(18)22-16(21-13)23(5)6/h9-12H,7-8,17H2,1-6H3,(H,19,24)(H2,18,20,21,22).
What are the key properties of 2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide?
2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide has a molecular weight of 337.47 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl]-4-methylpentanamide is sourced from PubChem (CID 597304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).