N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide

C14H20Cl2N4O — CID 167742842

IUPACN-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(c2cc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C14H20Cl2N4O/c1-3-9(4-2)13(21)17-10-5-6-20(8-10)12-7-11(15)18-14(16)19-12/h7,9-10H,3-6,8H2,1-2H3,(H,17,21)
InChIKeyINWJZJTWRXMDNN-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.91
Rot. Bonds5

About N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide

N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide (PubChem CID 167742842) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide
PubChem CID167742842
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC NameN-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(c2cc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C14H20Cl2N4O/c1-3-9(4-2)13(21)17-10-5-6-20(8-10)12-7-11(15)18-14(16)19-12/h7,9-10H,3-6,8H2,1-2H3,(H,17,21)
InChIKeyINWJZJTWRXMDNN-UHFFFAOYSA-N
XLogP2.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide?
The IUPAC name of N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide (CID 167742842) is N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide?
The canonical SMILES for N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide is CCC(CC)C(=O)NC1CCN(c2cc(Cl)nc(Cl)n2)C1.
What is the InChIKey of N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide?
The InChIKey is INWJZJTWRXMDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4O/c1-3-9(4-2)13(21)17-10-5-6-20(8-10)12-7-11(15)18-14(16)19-12/h7,9-10H,3-6,8H2,1-2H3,(H,17,21).
What are the key properties of N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide?
N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide has a molecular weight of 331.25 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide is sourced from PubChem (CID 167742842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).