N-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide

C13H18ClN3O3 — CID 22326750

IUPACN-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(Cl)nc1OC1CCOC1
InChIInChI=1S/C13H18ClN3O3/c1-13(2,3)17-10(18)9-6-15-12(14)16-11(9)20-8-4-5-19-7-8/h6,8H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyKJCZYRRECIYAJM-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.83
Rot. Bonds3

About N-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide

N-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide (PubChem CID 22326750) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide
PubChem CID22326750
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC NameN-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(Cl)nc1OC1CCOC1
InChIInChI=1S/C13H18ClN3O3/c1-13(2,3)17-10(18)9-6-15-12(14)16-11(9)20-8-4-5-19-7-8/h6,8H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyKJCZYRRECIYAJM-UHFFFAOYSA-N
XLogP1.83
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide (CID 22326750) is N-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide is CC(C)(C)NC(=O)c1cnc(Cl)nc1OC1CCOC1.
What is the InChIKey of N-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide?
The InChIKey is KJCZYRRECIYAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-13(2,3)17-10(18)9-6-15-12(14)16-11(9)20-8-4-5-19-7-8/h6,8H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of N-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide?
N-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-4-(oxolan-3-yloxy)pyrimidine-5-carboxamide is sourced from PubChem (CID 22326750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).