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

C12H17N7 — CID 80840055

IUPAC2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(CC1CC1)Nc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17N7/c1-8(6-9-2-3-9)15-11-16-10(13)17-12(18-11)19-5-4-14-7-19/h4-5,7-9H,2-3,6H2,1H3,(H3,13,15,16,17,18)
InChIKeyHKPZRKDRHASFTK-UHFFFAOYSA-N
MW259.32 g/mol
LogP1.24
Rot. Bonds5

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

2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80840055) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80840055
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(CC1CC1)Nc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17N7/c1-8(6-9-2-3-9)15-11-16-10(13)17-12(18-11)19-5-4-14-7-19/h4-5,7-9H,2-3,6H2,1H3,(H3,13,15,16,17,18)
InChIKeyHKPZRKDRHASFTK-UHFFFAOYSA-N
XLogP1.24
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80840055) is 2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is CC(CC1CC1)Nc1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is HKPZRKDRHASFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-8(6-9-2-3-9)15-11-16-10(13)17-12(18-11)19-5-4-14-7-19/h4-5,7-9H,2-3,6H2,1H3,(H3,13,15,16,17,18).
What are the key properties of 2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 259.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80840055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).