6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid

C16H17N3O2 — CID 107553354

IUPAC6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC2CCCc3ccccc32)n1
InChIInChI=1S/C16H17N3O2/c1-10-9-14(15(20)21)19-16(17-10)18-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13H,4,6,8H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyRNMAZZOSHLIHOZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.97
Rot. Bonds3

About 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid

6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid (PubChem CID 107553354) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid
PubChem CID107553354
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC2CCCc3ccccc32)n1
InChIInChI=1S/C16H17N3O2/c1-10-9-14(15(20)21)19-16(17-10)18-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13H,4,6,8H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyRNMAZZOSHLIHOZ-UHFFFAOYSA-N
XLogP2.97
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 115626948
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylic acid
CID 63250465
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
CID 107544308
2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127024314
1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone
CID 79364230
2-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 115485174
3-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 82789255
6-ethyl-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
CID 67072813
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
CID 133488083

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid (CID 107553354) is 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(NC2CCCc3ccccc32)n1.
What is the InChIKey of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid?
The InChIKey is RNMAZZOSHLIHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-9-14(15(20)21)19-16(17-10)18-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13H,4,6,8H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid?
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).