2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C13H23N5O — CID 80838419

IUPAC2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCC(CC1CC1)Nc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C13H23N5O/c1-4-10(7-9-5-6-9)15-12-16-11(14)17-13(18-12)19-8(2)3/h8-10H,4-7H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyIXMDIWLWVKLZSS-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.23
Rot. Bonds7

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

2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80838419) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80838419
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCC(CC1CC1)Nc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C13H23N5O/c1-4-10(7-9-5-6-9)15-12-16-11(14)17-13(18-12)19-8(2)3/h8-10H,4-7H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyIXMDIWLWVKLZSS-UHFFFAOYSA-N
XLogP2.23
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80836368
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
2-N-(1-cyclopentylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80835106
2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80847314
2-N-cyclopropyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80765120
2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 107415895
N-hexan-3-yl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80907736
2-N-(3,3-dimethylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 104830638
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 175422800
N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine
CID 113292957
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885
N-(1-cyclopropylbutan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491506

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80838419) is 2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CCC(CC1CC1)Nc1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is IXMDIWLWVKLZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-10(7-9-5-6-9)15-12-16-11(14)17-13(18-12)19-8(2)3/h8-10H,4-7H2,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 265.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80838419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).