6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate

C19H29ClN6O2 — CID 21455185

IUPAC6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate
SMILESCC(C)Nc1nc(Cl)nc(NC(C)C)n1.CC(C)OC(=O)Nc1ccccc1
InChIInChI=1S/C10H13NO2.C9H16ClN5/c1-8(2)13-10(12)11-9-6-4-3-5-7-9;1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h3-8H,1-2H3,(H,11,12);5-6H,1-4H3,(H2,11,12,13,14,15)
InChIKeyHAMBGKDIUPWIKC-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.81
Rot. Bonds6

About 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate

6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate (PubChem CID 21455185) has the molecular formula C19H29ClN6O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate.

Molecular Properties

Compound Name6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate
PubChem CID21455185
Molecular FormulaC19H29ClN6O2
Molecular Weight408.93 g/mol
Exact Mass408.20
IUPAC Name6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate
SMILESCC(C)Nc1nc(Cl)nc(NC(C)C)n1.CC(C)OC(=O)Nc1ccccc1
InChIInChI=1S/C10H13NO2.C9H16ClN5/c1-8(2)13-10(12)11-9-6-4-3-5-7-9;1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h3-8H,1-2H3,(H,11,12);5-6H,1-4H3,(H2,11,12,13,14,15)
InChIKeyHAMBGKDIUPWIKC-UHFFFAOYSA-N
XLogP4.81
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate 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

bis(6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine);bis(2-chloro-N-phenyl-N-propan-2-ylacetamide);bis(N-(3,4-dichlorophenyl)propanamide);bis(propan-2-yl N-phenylcarbamate)
CID 173369205
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
CID 134914237
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate
CID 3852548
propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 131748063
N-phenyl-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179724
1,1,1-trifluoropropan-2-yl N-phenylcarbamate
CID 134123596
1,1-dichloro-3-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-one
CID 20531559
[(1S)-1-(phenylcarbamoyloxy)ethyl] 2-methylpropanoate
CID 173005984
2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 19011134
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate?
The IUPAC name of 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate (CID 21455185) is 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate.
What is the SMILES notation for 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate?
The canonical SMILES for 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate is CC(C)Nc1nc(Cl)nc(NC(C)C)n1.CC(C)OC(=O)Nc1ccccc1.
What is the InChIKey of 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate?
The InChIKey is HAMBGKDIUPWIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C9H16ClN5/c1-8(2)13-10(12)11-9-6-4-3-5-7-9;1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h3-8H,1-2H3,(H,11,12);5-6H,1-4H3,(H2,11,12,13,14,15).
What are the key properties of 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate?
6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate has a molecular weight of 408.93 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate is sourced from PubChem (CID 21455185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).