methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate

C14H19N3O2 — CID 66778851

IUPACmethyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate
SMILESCCCC=Cc1c(N)nc(C2CC2)nc1C(=O)OC
InChIInChI=1S/C14H19N3O2/c1-3-4-5-6-10-11(14(18)19-2)16-13(9-7-8-9)17-12(10)15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,16,17)
InChIKeyGKYHYHMUBAMLHT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.54
Rot. Bonds5

About methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate

methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate (PubChem CID 66778851) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate
PubChem CID66778851
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namemethyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate
SMILESCCCC=Cc1c(N)nc(C2CC2)nc1C(=O)OC
InChIInChI=1S/C14H19N3O2/c1-3-4-5-6-10-11(14(18)19-2)16-13(9-7-8-9)17-12(10)15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,16,17)
InChIKeyGKYHYHMUBAMLHT-UHFFFAOYSA-N
XLogP2.54
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate (CID 66778851) is methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate is CCCC=Cc1c(N)nc(C2CC2)nc1C(=O)OC.
What is the InChIKey of methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate?
The InChIKey is GKYHYHMUBAMLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-4-5-6-10-11(14(18)19-2)16-13(9-7-8-9)17-12(10)15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,16,17).
What are the key properties of methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate?
methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate is sourced from PubChem (CID 66778851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).