7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine

C14H19N7 — CID 106302479

IUPAC7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCn1cnnc1Cn1c(C)c(C)c2c(N)nc(C)nc21
InChIInChI=1S/C14H19N7/c1-5-20-7-16-19-11(20)6-21-9(3)8(2)12-13(15)17-10(4)18-14(12)21/h7H,5-6H2,1-4H3,(H2,15,17,18)
InChIKeyVFOFQVCKLFEEBV-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.60
Rot. Bonds3

About 7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 106302479) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is 7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID106302479
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCn1cnnc1Cn1c(C)c(C)c2c(N)nc(C)nc21
InChIInChI=1S/C14H19N7/c1-5-20-7-16-19-11(20)6-21-9(3)8(2)12-13(15)17-10(4)18-14(12)21/h7H,5-6H2,1-4H3,(H2,15,17,18)
InChIKeyVFOFQVCKLFEEBV-UHFFFAOYSA-N
XLogP1.60
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4975837
4-(2,5-dimethyl-1H-pyrrol-1-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 71225558
4-(3-Methylimidazol-4-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767448
1,4,6-trimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridine
CID 4209966
4-(1,3-Dihydroisoindol-2-yl)-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 137641277
3-[4-Amino-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonitrile
CID 145983989
4-[4-Amino-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonitrile
CID 145984673
4-(7-(3-(dimethylamino)propyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-N,N-dimethylaniline
CID 8056643
4-(1-Methylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767289
1-(2-Piperidin-1-ylethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidine
CID 74767365
4-[[4-Amino-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidine-1-carbonitrile
CID 145984181
4-(1H-imidazol-1-yl)-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
CID 666038

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 106302479) is 7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is CCn1cnnc1Cn1c(C)c(C)c2c(N)nc(C)nc21.
What is the InChIKey of 7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VFOFQVCKLFEEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-5-20-7-16-19-11(20)6-21-9(3)8(2)12-13(15)17-10(4)18-14(12)21/h7H,5-6H2,1-4H3,(H2,15,17,18).
What are the key properties of 7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 285.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106302479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).