4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide

C6H8ClN5O — CID 119093442

IUPAC4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide
SMILESCN(C)c1nc(Cl)nc(C(N)=O)n1
InChIInChI=1S/C6H8ClN5O/c1-12(2)6-10-4(3(8)13)9-5(7)11-6/h1-2H3,(H2,8,13)
InChIKeyHTOPLCQYCJUJEP-UHFFFAOYSA-N
MW201.62 g/mol
LogP-0.31
Rot. Bonds2

About 4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide

4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide (PubChem CID 119093442) has the molecular formula C6H8ClN5O and a molecular weight of 201.62 g/mol. Its IUPAC name is 4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide
PubChem CID119093442
Molecular FormulaC6H8ClN5O
Molecular Weight201.62 g/mol
Exact Mass201.04
IUPAC Name4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide
SMILESCN(C)c1nc(Cl)nc(C(N)=O)n1
InChIInChI=1S/C6H8ClN5O/c1-12(2)6-10-4(3(8)13)9-5(7)11-6/h1-2H3,(H2,8,13)
InChIKeyHTOPLCQYCJUJEP-UHFFFAOYSA-N
XLogP-0.31
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.62
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Bis(dimethylamino)-1,3,5-triazine-2-carbohydrazide
CID 602539
4,6-Bis(ethylamino)-1,3,5-triazine-2-carboxamide
CID 597626
4,6-Bis(dimethylamino)-1,3,5-triazine-2-carboxamide
CID 910049
2-Carbamoyl-sym-triazine
CID 54264822
N,4-dimethyl-6-(methylamino)-1,3,5-triazine-2-carboxamide
CID 76316488
4-(Diethylamino)-6-methoxy-1,3,5-triazine-2-carboxamide
CID 4355148
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 35554
4,6-Diamino-1,3,5-triazine-2-carboxamide
CID 67444326
4-(Dimethylamino)-1,3,5-triazine-2-carboxamide
CID 68499221
4,6-Dichloro-1,3,5-triazine-2-carboxamide
CID 71440777
4,6-Dimethyl-1,3,5-triazine-2-carboxamide
CID 118936004
6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide
CID 174533711

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide (CID 119093442) is 4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide is CN(C)c1nc(Cl)nc(C(N)=O)n1.
What is the InChIKey of 4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide?
The InChIKey is HTOPLCQYCJUJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN5O/c1-12(2)6-10-4(3(8)13)9-5(7)11-6/h1-2H3,(H2,8,13).
What are the key properties of 4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide?
4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide has a molecular weight of 201.62 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 119093442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).