6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C13H21N7 — CID 80820982

IUPAC6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)CN(c1nc(N)nc(-n2ccnc2)n1)C(C)C
InChIInChI=1S/C13H21N7/c1-9(2)7-20(10(3)4)13-17-11(14)16-12(18-13)19-6-5-15-8-19/h5-6,8-10H,7H2,1-4H3,(H2,14,16,17,18)
InChIKeyLOLCRQKSKFDXQP-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.51
Rot. Bonds5

About 6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80820982) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID80820982
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)CN(c1nc(N)nc(-n2ccnc2)n1)C(C)C
InChIInChI=1S/C13H21N7/c1-9(2)7-20(10(3)4)13-17-11(14)16-12(18-13)19-6-5-15-8-19/h5-6,8-10H,7H2,1-4H3,(H2,14,16,17,18)
InChIKeyLOLCRQKSKFDXQP-UHFFFAOYSA-N
XLogP1.51
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 80810035
4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62865000
4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80820815
4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80779658
6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80764046
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80815490
4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773693
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849549
2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80795295
4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80886477
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80796446
4-butan-2-ylsulfanyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80887918

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 80820982) is 6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)CN(c1nc(N)nc(-n2ccnc2)n1)C(C)C.
What is the InChIKey of 6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is LOLCRQKSKFDXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-9(2)7-20(10(3)4)13-17-11(14)16-12(18-13)19-6-5-15-8-19/h5-6,8-10H,7H2,1-4H3,(H2,14,16,17,18).
What are the key properties of 6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 275.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80820982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).