2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C12H18N8O — CID 80814477

IUPAC2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCn1nccc1CNc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H18N8O/c1-19-9(2-3-15-19)8-14-11-16-10(13)17-12(18-11)20-4-6-21-7-5-20/h2-3H,4-8H2,1H3,(H3,13,14,16,17,18)
InChIKeySRIQOGBUWZZBJI-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.36
Rot. Bonds4

About 2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80814477) has the molecular formula C12H18N8O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID80814477
Molecular FormulaC12H18N8O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCn1nccc1CNc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H18N8O/c1-19-9(2-3-15-19)8-14-11-16-10(13)17-12(18-11)20-4-6-21-7-5-20/h2-3H,4-8H2,1H3,(H3,13,14,16,17,18)
InChIKeySRIQOGBUWZZBJI-UHFFFAOYSA-N
XLogP-0.36
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80906477
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80780690
3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772383
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80769608
2-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80751542
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80803084
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106041375
4-[4-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58508286
2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106424603
N-ethyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 34253082

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 80814477) is 2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is Cn1nccc1CNc1nc(N)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is SRIQOGBUWZZBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8O/c1-19-9(2-3-15-19)8-14-11-16-10(13)17-12(18-11)20-4-6-21-7-5-20/h2-3H,4-8H2,1H3,(H3,13,14,16,17,18).
What are the key properties of 2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 290.33 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80814477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).