methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate

C9H10ClN3O2 — CID 16725794

IUPACmethyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)nc(N)c1Cl
InChIInChI=1S/C9H10ClN3O2/c1-15-9(14)6-5(10)7(11)13-8(12-6)4-2-3-4/h4H,2-3H2,1H3,(H2,11,12,13)
InChIKeyMDWRNPOBHVLALB-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.38
Rot. Bonds2

About methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate

methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate (PubChem CID 16725794) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
PubChem CID16725794
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Namemethyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)nc(N)c1Cl
InChIInChI=1S/C9H10ClN3O2/c1-15-9(14)6-5(10)7(11)13-8(12-6)4-2-3-4/h4H,2-3H2,1H3,(H2,11,12,13)
InChIKeyMDWRNPOBHVLALB-UHFFFAOYSA-N
XLogP1.38
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate (CID 16725794) is methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate is COC(=O)c1nc(C2CC2)nc(N)c1Cl.
What is the InChIKey of methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
The InChIKey is MDWRNPOBHVLALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-15-9(14)6-5(10)7(11)13-8(12-6)4-2-3-4/h4H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate has a molecular weight of 227.65 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate is sourced from PubChem (CID 16725794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).