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

C14H25N5O — CID 80821462

IUPAC2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(N(CC2CC2)C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-5-8-20-14-17-12(15-4)16-13(18-14)19(10(2)3)9-11-6-7-11/h10-11H,5-9H2,1-4H3,(H,15,16,17,18)
InChIKeyDWDKEDNEWKMXCH-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.33
Rot. Bonds8

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

2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80821462) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80821462
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(N(CC2CC2)C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-5-8-20-14-17-12(15-4)16-13(18-14)19(10(2)3)9-11-6-7-11/h10-11H,5-9H2,1-4H3,(H,15,16,17,18)
InChIKeyDWDKEDNEWKMXCH-UHFFFAOYSA-N
XLogP2.33
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(cyclopropylmethyl)-4-N,4-N,6-N-trimethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 80820992
2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80820904
4-(cyclopropylmethoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80865430
2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80797891
2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80793836
2-N-(cyclopropylmethyl)-2-N-ethyl-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80840106
2-N-(2,3-dimethylcyclopentyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80840526
1-methoxy-3-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80811033
2-N-(cyclohexylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80800038
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771583
2-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80845422
6-(2-cyclobutylethoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 106207650

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80821462) is 2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(N(CC2CC2)C(C)C)n1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is DWDKEDNEWKMXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-8-20-14-17-12(15-4)16-13(18-14)19(10(2)3)9-11-6-7-11/h10-11H,5-9H2,1-4H3,(H,15,16,17,18).
What are the key properties of 2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80821462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).