4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride

C11H13ClN8 — CID 147357074

IUPAC4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1c(N)nc(Nc2cnn(C3CC3)c2)nc1N
InChIInChI=1S/C11H13ClN8/c12-8(13)7-9(14)18-11(19-10(7)15)17-5-3-16-20(4-5)6-1-2-6/h3-4,6,13H,1-2H2,(H5,14,15,17,18,19)/b13-8-
InChIKeyDGNHAIVLUZVPED-JYRVWZFOSA-N
MW292.73 g/mol
LogP1.48
Rot. Bonds4

About 4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride

4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride (PubChem CID 147357074) has the molecular formula C11H13ClN8 and a molecular weight of 292.73 g/mol. Its IUPAC name is 4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride.

Molecular Properties

Compound Name4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride
PubChem CID147357074
Molecular FormulaC11H13ClN8
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC Name4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1c(N)nc(Nc2cnn(C3CC3)c2)nc1N
InChIInChI=1S/C11H13ClN8/c12-8(13)7-9(14)18-11(19-10(7)15)17-5-3-16-20(4-5)6-1-2-6/h3-4,6,13H,1-2H2,(H5,14,15,17,18,19)/b13-8-
InChIKeyDGNHAIVLUZVPED-JYRVWZFOSA-N
XLogP1.48
TPSA131.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.48
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

4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride
CID 163629666
4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-[methyl-[(3R,6S)-6-methyl-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidine-5-carboximidoyl chloride
CID 155261430
4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
CID 155203648
5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 172824528
N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine
CID 164586611
N-(4-chloro-2-methanimidoyl-5-pyrrolidin-1-ylphenyl)-1-cyclopropylpyrazol-4-amine;methanol
CID 155735057
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 134421040
2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol
CID 169158124
4-chloro-1-N-(1-cyclopropylpyrazol-4-yl)-6-methanimidoyl-3-N-prop-2-enylbenzene-1,3-diamine
CID 155735047
4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 155203798
[4-[4-[[5-amino-4-(4-ethoxyanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]cyclohexyl]carbamic acid
CID 90390299
2-[[[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-(difluoromethyl)pyrimidin-4-yl]phenyl]-hydroxymethyl]amino]acetonitrile
CID 174360457

Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride?
The IUPAC name of 4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride (CID 147357074) is 4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride.
What is the SMILES notation for 4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride?
The canonical SMILES for 4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride is [H]/N=C(\Cl)c1c(N)nc(Nc2cnn(C3CC3)c2)nc1N.
What is the InChIKey of 4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride?
The InChIKey is DGNHAIVLUZVPED-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H13ClN8/c12-8(13)7-9(14)18-11(19-10(7)15)17-5-3-16-20(4-5)6-1-2-6/h3-4,6,13H,1-2H2,(H5,14,15,17,18,19)/b13-8-.
What are the key properties of 4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride?
4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride has a molecular weight of 292.73 g/mol, XLogP of 1.48, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidine-5-carboximidoyl chloride is sourced from PubChem (CID 147357074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).