4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride

C11H15ClN8 — CID 163629666

IUPAC4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1c(N)nc(Nc2cnn(CC)c2)nc1NC
InChIInChI=1S/C11H15ClN8/c1-3-20-5-6(4-16-20)17-11-18-9(14)7(8(12)13)10(15-2)19-11/h4-5,13H,3H2,1-2H3,(H4,14,15,17,18,19)/b13-8-
InChIKeyHUZPYHLQTMEVMC-JYRVWZFOSA-N
MW294.75 g/mol
LogP1.62
Rot. Bonds5

About 4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride

4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride (PubChem CID 163629666) has the molecular formula C11H15ClN8 and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride.

Molecular Properties

Compound Name4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride
PubChem CID163629666
Molecular FormulaC11H15ClN8
Molecular Weight294.75 g/mol
Exact Mass294.11
IUPAC Name4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1c(N)nc(Nc2cnn(CC)c2)nc1NC
InChIInChI=1S/C11H15ClN8/c1-3-20-5-6(4-16-20)17-11-18-9(14)7(8(12)13)10(15-2)19-11/h4-5,13H,3H2,1-2H3,(H4,14,15,17,18,19)/b13-8-
InChIKeyHUZPYHLQTMEVMC-JYRVWZFOSA-N
XLogP1.62
TPSA117.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride?
The IUPAC name of 4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride (CID 163629666) is 4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride.
What is the SMILES notation for 4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride?
The canonical SMILES for 4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride is [H]/N=C(\Cl)c1c(N)nc(Nc2cnn(CC)c2)nc1NC.
What is the InChIKey of 4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride?
The InChIKey is HUZPYHLQTMEVMC-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H15ClN8/c1-3-20-5-6(4-16-20)17-11-18-9(14)7(8(12)13)10(15-2)19-11/h4-5,13H,3H2,1-2H3,(H4,14,15,17,18,19)/b13-8-.
What are the key properties of 4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride?
4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride has a molecular weight of 294.75 g/mol, XLogP of 1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride is sourced from PubChem (CID 163629666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).