6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine

C13H24N6O — CID 80830703

IUPAC6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCCN2CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-10(2)20-13-17-11(14)16-12(18-13)15-6-5-9-19-7-3-4-8-19/h10H,3-9H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyPOJARFLGMZQKIU-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.14
Rot. Bonds7

About 6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine

6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80830703) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID80830703
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCCN2CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-10(2)20-13-17-11(14)16-12(18-13)15-6-5-9-19-7-3-4-8-19/h10H,3-9H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyPOJARFLGMZQKIU-UHFFFAOYSA-N
XLogP1.14
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 106327513
2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80831552
4-N-ethyl-6-propan-2-yloxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80803986
2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80777165
2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80847314
2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80804374
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
2-N-[2-[ethyl(methyl)amino]ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80832721
6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830863
2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 106106863
6-propan-2-yloxy-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106433948
1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 80843488

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine (CID 80830703) is 6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(NCCCN2CCCC2)n1.
What is the InChIKey of 6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is POJARFLGMZQKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-10(2)20-13-17-11(14)16-12(18-13)15-6-5-9-19-7-3-4-8-19/h10H,3-9H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 280.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80830703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).