ethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate

C10H16N4O2 — CID 25020939

IUPACethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(C)C)nc1N
InChIInChI=1S/C10H16N4O2/c1-4-16-9(15)7-5-12-10(13-6(2)3)14-8(7)11/h5-6H,4H2,1-3H3,(H3,11,12,13,14)
InChIKeySMBWHHZRFSRZKR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.06
Rot. Bonds4

About ethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate

ethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate (PubChem CID 25020939) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate
PubChem CID25020939
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nameethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(C)C)nc1N
InChIInChI=1S/C10H16N4O2/c1-4-16-9(15)7-5-12-10(13-6(2)3)14-8(7)11/h5-6H,4H2,1-3H3,(H3,11,12,13,14)
InChIKeySMBWHHZRFSRZKR-UHFFFAOYSA-N
XLogP1.06
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate (CID 25020939) is ethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC(C)C)nc1N.
What is the InChIKey of ethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate?
The InChIKey is SMBWHHZRFSRZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-16-9(15)7-5-12-10(13-6(2)3)14-8(7)11/h5-6H,4H2,1-3H3,(H3,11,12,13,14).
What are the key properties of ethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate?
ethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(propan-2-ylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 25020939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).