6-phenyl-1,3,5-triazine-2,4-diamine;thiourea

C10H13N7S — CID 87330411

IUPAC6-phenyl-1,3,5-triazine-2,4-diamine;thiourea
SMILESNC(N)=S.Nc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C9H9N5.CH4N2S/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H4,10,11,12,13,14);(H4,2,3,4)
InChIKeyAZABOHLXXGPBEP-UHFFFAOYSA-N
MW263.33 g/mol
LogP-0.11
Rot. Bonds1

About 6-phenyl-1,3,5-triazine-2,4-diamine;thiourea

6-phenyl-1,3,5-triazine-2,4-diamine;thiourea (PubChem CID 87330411) has the molecular formula C10H13N7S and a molecular weight of 263.33 g/mol. Its IUPAC name is 6-phenyl-1,3,5-triazine-2,4-diamine;thiourea.

Molecular Properties

Compound Name6-phenyl-1,3,5-triazine-2,4-diamine;thiourea
PubChem CID87330411
Molecular FormulaC10H13N7S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name6-phenyl-1,3,5-triazine-2,4-diamine;thiourea
SMILESNC(N)=S.Nc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C9H9N5.CH4N2S/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H4,10,11,12,13,14);(H4,2,3,4)
InChIKeyAZABOHLXXGPBEP-UHFFFAOYSA-N
XLogP-0.11
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 22352251
formamide;6-phenyl-1,3,5-triazine-2,4-diamine
CID 90097398
6-phenyl-1,3,5-triazine-2,4-diamine;1,3,5-triazinane-2,4,6-trione
CID 23514227
6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 57107679
4-(3,5-dichlorophenyl)-6-phenyl-1,3,5-triazin-2-amine
CID 107918328
2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid
CID 68852154
4-phenyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63868472
4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-amine
CID 63866847
3-(4,6-diamino-1,3,5-triazin-2-yl)benzoic acid
CID 139724485
6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine
CID 12852430
(4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium
CID 123780943
4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine
CID 165048378

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,3,5-triazine-2,4-diamine;thiourea?
The IUPAC name of 6-phenyl-1,3,5-triazine-2,4-diamine;thiourea (CID 87330411) is 6-phenyl-1,3,5-triazine-2,4-diamine;thiourea.
What is the SMILES notation for 6-phenyl-1,3,5-triazine-2,4-diamine;thiourea?
The canonical SMILES for 6-phenyl-1,3,5-triazine-2,4-diamine;thiourea is NC(N)=S.Nc1nc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 6-phenyl-1,3,5-triazine-2,4-diamine;thiourea?
The InChIKey is AZABOHLXXGPBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5.CH4N2S/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H4,10,11,12,13,14);(H4,2,3,4).
What are the key properties of 6-phenyl-1,3,5-triazine-2,4-diamine;thiourea?
6-phenyl-1,3,5-triazine-2,4-diamine;thiourea has a molecular weight of 263.33 g/mol, XLogP of -0.11, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,3,5-triazine-2,4-diamine;thiourea is sourced from PubChem (CID 87330411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).