(propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate

C11H13ClN4O2 — CID 146293243

IUPAC(propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
SMILESCC(C)=NOC(=O)c1nc(C2CC2)nc(N)c1Cl
InChIInChI=1S/C11H13ClN4O2/c1-5(2)16-18-11(17)8-7(12)9(13)15-10(14-8)6-3-4-6/h6H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyGMDMGQQBTUPUGF-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.14
Rot. Bonds3

About (propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate

(propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate (PubChem CID 146293243) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is (propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate.

Molecular Properties

Compound Name(propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
PubChem CID146293243
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name(propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
SMILESCC(C)=NOC(=O)c1nc(C2CC2)nc(N)c1Cl
InChIInChI=1S/C11H13ClN4O2/c1-5(2)16-18-11(17)8-7(12)9(13)15-10(14-8)6-3-4-6/h6H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyGMDMGQQBTUPUGF-UHFFFAOYSA-N
XLogP2.14
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid;hydrate
CID 67084337
(6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate
CID 174617589
1-butoxypropan-2-yl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
CID 67419734
methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
CID 84690746
3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid
CID 174666918
methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate
CID 66778851
(4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol
CID 46941488
5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid
CID 83869042
methyl 5-chloro-2-cyclopropyl-6-[[(3S,4S)-4-hydroxyoxolan-3-yl]amino]pyrimidine-4-carboxylate
CID 58220840
methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate
CID 67094450
5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide;methyl 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 158544121
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 80978004

Frequently Asked Questions

What is the IUPAC name of (propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
The IUPAC name of (propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate (CID 146293243) is (propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate.
What is the SMILES notation for (propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
The canonical SMILES for (propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate is CC(C)=NOC(=O)c1nc(C2CC2)nc(N)c1Cl.
What is the InChIKey of (propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
The InChIKey is GMDMGQQBTUPUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-5(2)16-18-11(17)8-7(12)9(13)15-10(14-8)6-3-4-6/h6H,3-4H2,1-2H3,(H2,13,14,15).
What are the key properties of (propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
(propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate has a molecular weight of 268.70 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate is sourced from PubChem (CID 146293243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).