2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H27N5O2 — CID 80787122

IUPAC2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OC)nc(N(CCOC)C(C)CC)n1
InChIInChI=1S/C14H27N5O2/c1-6-8-15-12-16-13(18-14(17-12)21-5)19(9-10-20-4)11(3)7-2/h11H,6-10H2,1-5H3,(H,15,16,17,18)
InChIKeyXIVKXEVTROGVTO-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.95
Rot. Bonds10

About 2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80787122) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80787122
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OC)nc(N(CCOC)C(C)CC)n1
InChIInChI=1S/C14H27N5O2/c1-6-8-15-12-16-13(18-14(17-12)21-5)19(9-10-20-4)11(3)7-2/h11H,6-10H2,1-5H3,(H,15,16,17,18)
InChIKeyXIVKXEVTROGVTO-UHFFFAOYSA-N
XLogP1.95
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-butan-2-yl-4-N-ethyl-6-methoxy-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80821053
4-N-ethyl-6-methoxy-2-N-(2-methoxyethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 82952492
2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80820590
2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773091
6-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80820749
6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 82953220
2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80821370
6-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80793517
6-methoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80810740
6-ethoxy-2-N-ethyl-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80790033
4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776462
6-ethoxy-2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80795623

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80787122) is 2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(OC)nc(N(CCOC)C(C)CC)n1.
What is the InChIKey of 2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XIVKXEVTROGVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-6-8-15-12-16-13(18-14(17-12)21-5)19(9-10-20-4)11(3)7-2/h11H,6-10H2,1-5H3,(H,15,16,17,18).
What are the key properties of 2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 297.40 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80787122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).