2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C13H22N6O2 — CID 80774497

IUPAC2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC2COCCO2)nc(N2CCCC2)n1
InChIInChI=1S/C13H22N6O2/c1-14-11-16-12(15-8-10-9-20-6-7-21-10)18-13(17-11)19-4-2-3-5-19/h10H,2-9H2,1H3,(H2,14,15,16,17,18)
InChIKeyUQDQKZQSMRFKQZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.34
Rot. Bonds5

About 2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80774497) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80774497
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC2COCCO2)nc(N2CCCC2)n1
InChIInChI=1S/C13H22N6O2/c1-14-11-16-12(15-8-10-9-20-6-7-21-10)18-13(17-11)19-4-2-3-5-19/h10H,2-9H2,1H3,(H2,14,15,16,17,18)
InChIKeyUQDQKZQSMRFKQZ-UHFFFAOYSA-N
XLogP0.34
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80773943
2-N-(cyclobutylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783502
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
4-N-methyl-2-N-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 83034207
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79071314
4-N-methyl-6-piperidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80785798
2-N-(2-methoxyethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80765916
N-methyl-4-(2-methylmorpholin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80763829
2-N-benzyl-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80771043
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769896
2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 115366480
N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 125164960

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80774497) is 2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CNc1nc(NCC2COCCO2)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is UQDQKZQSMRFKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-14-11-16-12(15-8-10-9-20-6-7-21-10)18-13(17-11)19-4-2-3-5-19/h10H,2-9H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 294.36 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80774497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).