ethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate

C12H19N3O2 — CID 10823792

IUPACethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)C)nc1C(C)C
InChIInChI=1S/C12H19N3O2/c1-6-17-11(16)9-7-13-12(15(4)5)14-10(9)8(2)3/h7-8H,6H2,1-5H3
InChIKeyKVDFYIPXUZWZSZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.84
Rot. Bonds4

About ethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate

ethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate (PubChem CID 10823792) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate
PubChem CID10823792
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)C)nc1C(C)C
InChIInChI=1S/C12H19N3O2/c1-6-17-11(16)9-7-13-12(15(4)5)14-10(9)8(2)3/h7-8H,6H2,1-5H3
InChIKeyKVDFYIPXUZWZSZ-UHFFFAOYSA-N
XLogP1.84
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate (CID 10823792) is ethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(N(C)C)nc1C(C)C.
What is the InChIKey of ethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate?
The InChIKey is KVDFYIPXUZWZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-6-17-11(16)9-7-13-12(15(4)5)14-10(9)8(2)3/h7-8H,6H2,1-5H3.
What are the key properties of ethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate?
ethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 10823792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).