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

C14H25N5O — CID 80820904

IUPAC2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC)nc(N(CC2CC2)C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-5-15-12-16-13(18-14(17-12)20-6-2)19(10(3)4)9-11-7-8-11/h10-11H,5-9H2,1-4H3,(H,15,16,17,18)
InChIKeyVSPKTSNGIWRMIH-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.33
Rot. Bonds8

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

2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80820904) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID80820904
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC)nc(N(CC2CC2)C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-5-15-12-16-13(18-14(17-12)20-6-2)19(10(3)4)9-11-7-8-11/h10-11H,5-9H2,1-4H3,(H,15,16,17,18)
InChIKeyVSPKTSNGIWRMIH-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)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821462
2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80797891
1-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80826303
4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776462
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80821555
4-N-ethyl-6-methoxy-2-N-(2-methoxyethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 82952492
N-cyclopropyl-N-(cyclopropylmethyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80918086
2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107403046
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
6-ethoxy-4-N-ethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80780544
4-(cyclopropylmethoxy)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80865601
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80767664

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 80820904) is 2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(OCC)nc(N(CC2CC2)C(C)C)n1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is VSPKTSNGIWRMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-15-12-16-13(18-14(17-12)20-6-2)19(10(3)4)9-11-7-8-11/h10-11H,5-9H2,1-4H3,(H,15,16,17,18).
What are the key properties of 2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-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)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80820904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).