4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide

C13H22N6O2 — CID 171463140

IUPAC4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide
SMILESC[C@@H]1COCCN1c1nc(C(=O)N(C)C)nc(N(C)C)n1
InChIInChI=1S/C13H22N6O2/c1-9-8-21-7-6-19(9)13-15-10(11(20)17(2)3)14-12(16-13)18(4)5/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyTXQRMUXAYHNLSQ-SECBINFHSA-N
MW294.36 g/mol
LogP-0.14
Rot. Bonds3

About 4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide

4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 171463140) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide
PubChem CID171463140
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide
SMILESC[C@@H]1COCCN1c1nc(C(=O)N(C)C)nc(N(C)C)n1
InChIInChI=1S/C13H22N6O2/c1-9-8-21-7-6-19(9)13-15-10(11(20)17(2)3)14-12(16-13)18(4)5/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyTXQRMUXAYHNLSQ-SECBINFHSA-N
XLogP-0.14
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide (CID 171463140) is 4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide is C[C@@H]1COCCN1c1nc(C(=O)N(C)C)nc(N(C)C)n1.
What is the InChIKey of 4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide?
The InChIKey is TXQRMUXAYHNLSQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-9-8-21-7-6-19(9)13-15-10(11(20)17(2)3)14-12(16-13)18(4)5/h9H,6-8H2,1-5H3/t9-/m1/s1.
What are the key properties of 4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide?
4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of -0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N,N-dimethyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 171463140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).