methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate

C10H15N3O3 — CID 164554913

IUPACmethyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate
SMILESCC[C@H](C)Oc1nc(N)ncc1C(=O)OC
InChIInChI=1S/C10H15N3O3/c1-4-6(2)16-8-7(9(14)15-3)5-12-10(11)13-8/h5-6H,4H2,1-3H3,(H2,11,12,13)/t6-/m0/s1
InChIKeyMJUMQOUSNNUYGP-LURJTMIESA-N
MW225.25 g/mol
LogP1.02
Rot. Bonds4

About methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate

methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate (PubChem CID 164554913) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate
PubChem CID164554913
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate
SMILESCC[C@H](C)Oc1nc(N)ncc1C(=O)OC
InChIInChI=1S/C10H15N3O3/c1-4-6(2)16-8-7(9(14)15-3)5-12-10(11)13-8/h5-6H,4H2,1-3H3,(H2,11,12,13)/t6-/m0/s1
InChIKeyMJUMQOUSNNUYGP-LURJTMIESA-N
XLogP1.02
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate?
The IUPAC name of methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate (CID 164554913) is methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate is CC[C@H](C)Oc1nc(N)ncc1C(=O)OC.
What is the InChIKey of methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate?
The InChIKey is MJUMQOUSNNUYGP-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-6(2)16-8-7(9(14)15-3)5-12-10(11)13-8/h5-6H,4H2,1-3H3,(H2,11,12,13)/t6-/m0/s1.
What are the key properties of methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate?
methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate is sourced from PubChem (CID 164554913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).