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

C12H19ClN4O — CID 55229309

IUPAC2-[(6-chloro-5-propylpyrimidin-4-yl)-propan-2-ylamino]acetamide
SMILESCCCc1c(Cl)ncnc1N(CC(N)=O)C(C)C
InChIInChI=1S/C12H19ClN4O/c1-4-5-9-11(13)15-7-16-12(9)17(8(2)3)6-10(14)18/h7-8H,4-6H2,1-3H3,(H2,14,18)
InChIKeyLQSSSENBXVMKDH-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.78
Rot. Bonds6

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

2-[(6-chloro-5-propylpyrimidin-4-yl)-propan-2-ylamino]acetamide (PubChem CID 55229309) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(6-chloro-5-propylpyrimidin-4-yl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-5-propylpyrimidin-4-yl)-propan-2-ylamino]acetamide
PubChem CID55229309
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[(6-chloro-5-propylpyrimidin-4-yl)-propan-2-ylamino]acetamide
SMILESCCCc1c(Cl)ncnc1N(CC(N)=O)C(C)C
InChIInChI=1S/C12H19ClN4O/c1-4-5-9-11(13)15-7-16-12(9)17(8(2)3)6-10(14)18/h7-8H,4-6H2,1-3H3,(H2,14,18)
InChIKeyLQSSSENBXVMKDH-UHFFFAOYSA-N
XLogP1.78
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.78
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)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(6-chloro-5-propylpyrimidin-4-yl)-propan-2-ylamino]acetamide (CID 55229309) is 2-[(6-chloro-5-propylpyrimidin-4-yl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(6-chloro-5-propylpyrimidin-4-yl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(6-chloro-5-propylpyrimidin-4-yl)-propan-2-ylamino]acetamide is CCCc1c(Cl)ncnc1N(CC(N)=O)C(C)C.
What is the InChIKey of 2-[(6-chloro-5-propylpyrimidin-4-yl)-propan-2-ylamino]acetamide?
The InChIKey is LQSSSENBXVMKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-4-5-9-11(13)15-7-16-12(9)17(8(2)3)6-10(14)18/h7-8H,4-6H2,1-3H3,(H2,14,18).
What are the key properties of 2-[(6-chloro-5-propylpyrimidin-4-yl)-propan-2-ylamino]acetamide?
2-[(6-chloro-5-propylpyrimidin-4-yl)-propan-2-ylamino]acetamide has a molecular weight of 270.76 g/mol, XLogP of 1.78, 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)-propan-2-ylamino]acetamide is sourced from PubChem (CID 55229309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).