4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid

C10H17N5O2 — CID 606950

IUPAC4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid
SMILESCC(C)Nc1nc(NC(C)C)nc(C(=O)O)n1
InChIInChI=1S/C10H17N5O2/c1-5(2)11-9-13-7(8(16)17)14-10(15-9)12-6(3)4/h5-6H,1-4H3,(H,16,17)(H2,11,12,13,14,15)
InChIKeyNFPBZAHGOGHDRA-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.21
Rot. Bonds5

About 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid

4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid (PubChem CID 606950) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid
PubChem CID606950
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid
SMILESCC(C)Nc1nc(NC(C)C)nc(C(=O)O)n1
InChIInChI=1S/C10H17N5O2/c1-5(2)11-9-13-7(8(16)17)14-10(15-9)12-6(3)4/h5-6H,1-4H3,(H,16,17)(H2,11,12,13,14,15)
InChIKeyNFPBZAHGOGHDRA-UHFFFAOYSA-N
XLogP1.21
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid (CID 606950) is 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid is CC(C)Nc1nc(NC(C)C)nc(C(=O)O)n1.
What is the InChIKey of 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid?
The InChIKey is NFPBZAHGOGHDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-5(2)11-9-13-7(8(16)17)14-10(15-9)12-6(3)4/h5-6H,1-4H3,(H,16,17)(H2,11,12,13,14,15).
What are the key properties of 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid?
4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid has a molecular weight of 239.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 606950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).