6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine

C20H38N8O2 — CID 167924985

IUPAC6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCC(C)N2CCOCC2C)nc(NCC(C)N2CCOCC2C)n1
InChIInChI=1S/C20H38N8O2/c1-14(27-6-8-29-12-16(27)3)10-22-19-24-18(21-5)25-20(26-19)23-11-15(2)28-7-9-30-13-17(28)4/h14-17H,6-13H2,1-5H3,(H3,21,22,23,24,25,26)
InChIKeyDTIUPLQLNZFJKG-UHFFFAOYSA-N
MW422.58 g/mol
LogP0.96
Rot. Bonds9

About 6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine

6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 167924985) has the molecular formula C20H38N8O2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID167924985
Molecular FormulaC20H38N8O2
Molecular Weight422.58 g/mol
Exact Mass422.31
IUPAC Name6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCC(C)N2CCOCC2C)nc(NCC(C)N2CCOCC2C)n1
InChIInChI=1S/C20H38N8O2/c1-14(27-6-8-29-12-16(27)3)10-22-19-24-18(21-5)25-20(26-19)23-11-15(2)28-7-9-30-13-17(28)4/h14-17H,6-13H2,1-5H3,(H3,21,22,23,24,25,26)
InChIKeyDTIUPLQLNZFJKG-UHFFFAOYSA-N
XLogP0.96
TPSA99.70 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine
CID 133349242
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CID 129427083
N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine
CID 96527242
N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 129392890
(2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 99849127
(2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 97322384
1,3-dimethyl-N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-4-nitropyrazol-5-amine
CID 96527248
N-[2-(3-methylmorpholin-4-yl)propyl]thieno[3,2-b]pyridin-7-amine
CID 133352657
(2R)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 124710087
(2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 99851106
2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline
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3-methyl-4-pentan-2-ylmorpholine
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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine (CID 167924985) is 6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine is CNc1nc(NCC(C)N2CCOCC2C)nc(NCC(C)N2CCOCC2C)n1.
What is the InChIKey of 6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DTIUPLQLNZFJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N8O2/c1-14(27-6-8-29-12-16(27)3)10-22-19-24-18(21-5)25-20(26-19)23-11-15(2)28-7-9-30-13-17(28)4/h14-17H,6-13H2,1-5H3,(H3,21,22,23,24,25,26).
What are the key properties of 6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine?
6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 422.58 g/mol, XLogP of 0.96, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 167924985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).