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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Related Compounds

1-[5-Chloro-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]cyclopropane-1-carbonitrile
CID 67818622
4-N-methyl-2-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093313
1-[5-Chloro-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 69281457
2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281543
2-N-[3-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191207
2-N-[3-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190278
2-N-[3-chloro-1-[2-(1-ethyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190279
N4-methyl-N2-(1-methyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazol-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201491
US9932325, Example 98
CID 132244662
US9932325, Example 202
CID 132244677
US9932325, Example 204
CID 132244678
US9932325, Example 206
CID 132244680

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).