2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide

C14H21ClN4O — CID 63730164

IUPAC2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide
SMILESCCCc1c(Cl)ncnc1N(CC(N)=O)C1CCCC1
InChIInChI=1S/C14H21ClN4O/c1-2-5-11-13(15)17-9-18-14(11)19(8-12(16)20)10-6-3-4-7-10/h9-10H,2-8H2,1H3,(H2,16,20)
InChIKeyCWLKHLJGRGNQGN-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.32
Rot. Bonds6

About 2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide

2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide (PubChem CID 63730164) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide
PubChem CID63730164
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide
SMILESCCCc1c(Cl)ncnc1N(CC(N)=O)C1CCCC1
InChIInChI=1S/C14H21ClN4O/c1-2-5-11-13(15)17-9-18-14(11)19(8-12(16)20)10-6-3-4-7-10/h9-10H,2-8H2,1H3,(H2,16,20)
InChIKeyCWLKHLJGRGNQGN-UHFFFAOYSA-N
XLogP2.32
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide?
The IUPAC name of 2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide (CID 63730164) is 2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide is CCCc1c(Cl)ncnc1N(CC(N)=O)C1CCCC1.
What is the InChIKey of 2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide?
The InChIKey is CWLKHLJGRGNQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-2-5-11-13(15)17-9-18-14(11)19(8-12(16)20)10-6-3-4-7-10/h9-10H,2-8H2,1H3,(H2,16,20).
What are the key properties of 2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide?
2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide has a molecular weight of 296.80 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide is sourced from PubChem (CID 63730164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).