methyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate

C10H15N3O2 — CID 66284545

IUPACmethyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate
SMILESCNc1cc(C(C)C)nc(C(=O)OC)n1
InChIInChI=1S/C10H15N3O2/c1-6(2)7-5-8(11-3)13-9(12-7)10(14)15-4/h5-6H,1-4H3,(H,11,12,13)
InChIKeyCQOJQZYKDSQSDS-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.43
Rot. Bonds3

About methyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate

methyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate (PubChem CID 66284545) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate
PubChem CID66284545
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate
SMILESCNc1cc(C(C)C)nc(C(=O)OC)n1
InChIInChI=1S/C10H15N3O2/c1-6(2)7-5-8(11-3)13-9(12-7)10(14)15-4/h5-6H,1-4H3,(H,11,12,13)
InChIKeyCQOJQZYKDSQSDS-UHFFFAOYSA-N
XLogP1.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate (CID 66284545) is methyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate is CNc1cc(C(C)C)nc(C(=O)OC)n1.
What is the InChIKey of methyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate?
The InChIKey is CQOJQZYKDSQSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)7-5-8(11-3)13-9(12-7)10(14)15-4/h5-6H,1-4H3,(H,11,12,13).
What are the key properties of methyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate?
methyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)-6-propan-2-ylpyrimidine-2-carboxylate is sourced from PubChem (CID 66284545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).