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

C11H17N3O2 — CID 66284741

IUPACmethyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate
SMILESCCNc1cc(C(C)C)nc(C(=O)OC)n1
InChIInChI=1S/C11H17N3O2/c1-5-12-9-6-8(7(2)3)13-10(14-9)11(15)16-4/h6-7H,5H2,1-4H3,(H,12,13,14)
InChIKeyHHMVCFQGVMCQMO-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.82
Rot. Bonds4

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

methyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate (PubChem CID 66284741) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate
PubChem CID66284741
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate
SMILESCCNc1cc(C(C)C)nc(C(=O)OC)n1
InChIInChI=1S/C11H17N3O2/c1-5-12-9-6-8(7(2)3)13-10(14-9)11(15)16-4/h6-7H,5H2,1-4H3,(H,12,13,14)
InChIKeyHHMVCFQGVMCQMO-UHFFFAOYSA-N
XLogP1.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate (CID 66284741) is methyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate is CCNc1cc(C(C)C)nc(C(=O)OC)n1.
What is the InChIKey of methyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate?
The InChIKey is HHMVCFQGVMCQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-5-12-9-6-8(7(2)3)13-10(14-9)11(15)16-4/h6-7H,5H2,1-4H3,(H,12,13,14).
What are the key properties of methyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate?
methyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethylamino)-6-propan-2-ylpyrimidine-2-carboxylate is sourced from PubChem (CID 66284741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).