2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide

C11H16N4OS — CID 72932963

IUPAC2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC2CCSC2)cn1
InChIInChI=1S/C11H16N4OS/c1-2-12-11-13-5-8(6-14-11)10(16)15-9-3-4-17-7-9/h5-6,9H,2-4,7H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyPZOZINSJDGMIPV-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.14
Rot. Bonds4

About 2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide

2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide (PubChem CID 72932963) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide
PubChem CID72932963
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC2CCSC2)cn1
InChIInChI=1S/C11H16N4OS/c1-2-12-11-13-5-8(6-14-11)10(16)15-9-3-4-17-7-9/h5-6,9H,2-4,7H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyPZOZINSJDGMIPV-UHFFFAOYSA-N
XLogP1.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide (CID 72932963) is 2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NC2CCSC2)cn1.
What is the InChIKey of 2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide?
The InChIKey is PZOZINSJDGMIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-2-12-11-13-5-8(6-14-11)10(16)15-9-3-4-17-7-9/h5-6,9H,2-4,7H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide?
2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(thiolan-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 72932963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).