4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile

C13H21N7O — CID 80837471

IUPAC4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile
SMILESCCN(CC)c1nc(NC)nc(N2CCOC(C#N)C2)n1
InChIInChI=1S/C13H21N7O/c1-4-19(5-2)12-16-11(15-3)17-13(18-12)20-6-7-21-10(8-14)9-20/h10H,4-7,9H2,1-3H3,(H,15,16,17,18)
InChIKeyJVCTWKBSKUFZJH-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.49
Rot. Bonds5

About 4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile

4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile (PubChem CID 80837471) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile
PubChem CID80837471
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile
SMILESCCN(CC)c1nc(NC)nc(N2CCOC(C#N)C2)n1
InChIInChI=1S/C13H21N7O/c1-4-19(5-2)12-16-11(15-3)17-13(18-12)20-6-7-21-10(8-14)9-20/h10H,4-7,9H2,1-3H3,(H,15,16,17,18)
InChIKeyJVCTWKBSKUFZJH-UHFFFAOYSA-N
XLogP0.49
TPSA90.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-ethyl-2-N-methyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773862
4-N,4-N-diethyl-6-(3-methoxypiperidin-1-yl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 102971648
4-N-butyl-4-N-ethyl-2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80756096
2-[ethyl-[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 103104356
4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 55124481
4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile
CID 80849516
2-[cyanomethyl-[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]acetonitrile
CID 80757445
4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
CID 80850367
N-methyl-4-(2-methylmorpholin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80763829
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 104961882
N-methyl-4-(2-methylmorpholin-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80764718
1-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-5-one
CID 80809932

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile?
The IUPAC name of 4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile (CID 80837471) is 4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile is CCN(CC)c1nc(NC)nc(N2CCOC(C#N)C2)n1.
What is the InChIKey of 4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile?
The InChIKey is JVCTWKBSKUFZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-4-19(5-2)12-16-11(15-3)17-13(18-12)20-6-7-21-10(8-14)9-20/h10H,4-7,9H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile?
4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile has a molecular weight of 291.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile is sourced from PubChem (CID 80837471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).