2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C12H19N7O — CID 106106863

IUPAC2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C12H19N7O/c1-8(2)20-12-16-10(13)15-11(17-12)14-6-4-9-5-7-19(3)18-9/h5,7-8H,4,6H2,1-3H3,(H3,13,14,15,16,17)
InChIKeySGWLJEMPKPMEQK-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.63
Rot. Bonds6

About 2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 106106863) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID106106863
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C12H19N7O/c1-8(2)20-12-16-10(13)15-11(17-12)14-6-4-9-5-7-19(3)18-9/h5,7-8H,4,6H2,1-3H3,(H3,13,14,15,16,17)
InChIKeySGWLJEMPKPMEQK-UHFFFAOYSA-N
XLogP0.63
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine 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

5-fluoro-N~4~,N~4~-dimethyl-N~2~-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 72888557
6-isopropyl-N-[3-(3-methyl-1H-pyrazol-1-yl)propyl]pyrimidin-4-amine
CID 72926999
N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56867835
4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
CID 104626474
2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
CID 119052097
4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
CID 126450890
N-methyl-4-propan-2-yloxy-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
CID 80841047
N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 95543061
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 95543063
6-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
CID 103009994
2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 103012316
5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 103012574

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 106106863) is 2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(NCCc2ccn(C)n2)n1.
What is the InChIKey of 2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is SGWLJEMPKPMEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-8(2)20-12-16-10(13)15-11(17-12)14-6-4-9-5-7-19(3)18-9/h5,7-8H,4,6H2,1-3H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 277.33 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106106863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).