N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C18H25N7O2 — CID 72933578

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cc(C)n(CCNC(=O)CN2CCN(c3ncccn3)CC2)c(=O)n1
InChIInChI=1S/C18H25N7O2/c1-14-12-15(2)25(18(27)22-14)7-6-19-16(26)13-23-8-10-24(11-9-23)17-20-4-3-5-21-17/h3-5,12H,6-11,13H2,1-2H3,(H,19,26)
InChIKeyYWNZXENLOSCDAZ-UHFFFAOYSA-N
MW371.45 g/mol
LogP-0.41
Rot. Bonds6

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 72933578) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID72933578
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cc(C)n(CCNC(=O)CN2CCN(c3ncccn3)CC2)c(=O)n1
InChIInChI=1S/C18H25N7O2/c1-14-12-15(2)25(18(27)22-14)7-6-19-16(26)13-23-8-10-24(11-9-23)17-20-4-3-5-21-17/h3-5,12H,6-11,13H2,1-2H3,(H,19,26)
InChIKeyYWNZXENLOSCDAZ-UHFFFAOYSA-N
XLogP-0.41
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 72933578) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is Cc1cc(C)n(CCNC(=O)CN2CCN(c3ncccn3)CC2)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is YWNZXENLOSCDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-14-12-15(2)25(18(27)22-14)7-6-19-16(26)13-23-8-10-24(11-9-23)17-20-4-3-5-21-17/h3-5,12H,6-11,13H2,1-2H3,(H,19,26).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 371.45 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 72933578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).