6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide

C10H14ClN5O2 — CID 174533711

IUPAC6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide
SMILESCCN(C(=O)c1nc(Cl)nc(C(N)=O)n1)C(C)C
InChIInChI=1S/C10H14ClN5O2/c1-4-16(5(2)3)9(18)8-13-7(6(12)17)14-10(11)15-8/h5H,4H2,1-3H3,(H2,12,17)
InChIKeyYDPVURNBVATBMY-UHFFFAOYSA-N
MW271.71 g/mol
LogP0.49
Rot. Bonds4

About 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide

6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide (PubChem CID 174533711) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide
PubChem CID174533711
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Name6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide
SMILESCCN(C(=O)c1nc(Cl)nc(C(N)=O)n1)C(C)C
InChIInChI=1S/C10H14ClN5O2/c1-4-16(5(2)3)9(18)8-13-7(6(12)17)14-10(11)15-8/h5H,4H2,1-3H3,(H2,12,17)
InChIKeyYDPVURNBVATBMY-UHFFFAOYSA-N
XLogP0.49
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
CID 647855
4-(Dibutylamino)-6-methoxy-1,3,5-triazine-2-carboxamide
CID 4260974
N-ethyl-4-(ethylamino)-6-methyl-1,3,5-triazine-2-carboxamide
CID 76316489
2-[(4-amino-6-tert-butyl-1,3,5-triazin-2-yl)-methylamino]-N,N-diethylacetamide
CID 132312840
4-(Diethylamino)-6-methoxy-1,3,5-triazine-2-carboxamide
CID 4355148
2-N,4-N,6-N-tris[2-[di(propan-2-yl)amino]ethyl]-1,3,5-triazine-2,4,6-tricarboxamide
CID 59345615
2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 118936663
2-N,4-N,6-N-tripropyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 121298982
2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-dicarboxamide
CID 140377572
N,N-diethyl-4,6-dimethoxy-1,3,5-triazine-2-carboxamide
CID 11424977
2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide
CID 18124527
2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide
CID 34711949

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide?
The IUPAC name of 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide (CID 174533711) is 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide.
What is the SMILES notation for 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide?
The canonical SMILES for 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide is CCN(C(=O)c1nc(Cl)nc(C(N)=O)n1)C(C)C.
What is the InChIKey of 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide?
The InChIKey is YDPVURNBVATBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2/c1-4-16(5(2)3)9(18)8-13-7(6(12)17)14-10(11)15-8/h5H,4H2,1-3H3,(H2,12,17).
What are the key properties of 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide?
6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide has a molecular weight of 271.71 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide is sourced from PubChem (CID 174533711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).