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

C14H25N5O — CID 80836368

IUPAC2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCC(CC1CC1)Nc1nc(NC)nc(OC(C)C)n1
InChIInChI=1S/C14H25N5O/c1-5-11(8-10-6-7-10)16-13-17-12(15-4)18-14(19-13)20-9(2)3/h9-11H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyKENYRWWLQFLMSU-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.69
Rot. Bonds8

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

2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80836368) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80836368
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCC(CC1CC1)Nc1nc(NC)nc(OC(C)C)n1
InChIInChI=1S/C14H25N5O/c1-5-11(8-10-6-7-10)16-13-17-12(15-4)18-14(19-13)20-9(2)3/h9-11H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyKENYRWWLQFLMSU-UHFFFAOYSA-N
XLogP2.69
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-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)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80838419
2-N-(4-ethylcyclohexyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80782197
4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80847578
N-hexan-3-yl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80907736
2-N-(cyclopropylmethyl)-2-N-ethyl-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80840106
N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine
CID 113292957
2-N-hexan-3-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80818293
4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80889092
N-(1-cyclopropylbutan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491506
2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80820286
3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 106138430
N-ethyl-N-methyl-2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]propanamide
CID 103113878

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80836368) is 2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CCC(CC1CC1)Nc1nc(NC)nc(OC(C)C)n1.
What is the InChIKey of 2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is KENYRWWLQFLMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-11(8-10-6-7-10)16-13-17-12(15-4)18-14(19-13)20-9(2)3/h9-11H,5-8H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 2.69, 8 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)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80836368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).